REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2ajc_1_C DATA FIRST_RESID 39 DATA SEQUENCE SRRTYTLTDY LKSTFRVKFY TLQWISDHEY LYKQENNILL FNAEYGNSSI DATA SEQUENCE FLENSTFDEL GYSTNDYSVS PDRQFILFEY NYVKQWRHSY TASYDIYDLN DATA SEQUENCE KRQLITEERI PNNTQWITWS PVGHKLAYVW NNDIYVKNEP NLSSQRITWT DATA SEQUENCE GKENVIYNGV TDWVYEEEVF SAYSALWWSP NGTFLAYAQF NDTEVPLIEY DATA SEQUENCE SFYSDESLQY PKTVRIPYPK AGAENPTVKF FVVDTRTLSP NASVTSYQIV DATA SEQUENCE PPASVLIGDH YLCGVTWVTE ERISLQWIRR AQNYSIIDIC DYDESTGRWI DATA SEQUENCE SSVARQHIEI STTGWVGRFR PAEPHFTSDG NSFYKIISNE EGYKHIcHFQ DATA SEQUENCE TDKSNcTFIT KGAWEVIGIE ALTSDYLYYI SNEHKGMPGG RNLYRIQLND DATA SEQUENCE YTKVTCLSCE LNPERcQYYS ASFSNKAKYY QLRcFGPGLP LYTLHSSSSD DATA SEQUENCE KELRVLEDNS ALDKMLQDVQ MPSKKLDVIN LHGTKFWYQM ILPPHFDKSK DATA SEQUENCE KYPLLIEVYA GPCSQKVDTV FRLSWATYLA STENIIVASF DGRGSGYQGD DATA SEQUENCE KIMHAINRRL GTFEVEDQIE ATRQFSKMGF VDDKRIAIWG WSYGGYVTSM DATA SEQUENCE VLGAGSGVFK cGIAVAPVSK WEYYDSVYTE RYMGLPTPED NLDYYRNSTV DATA SEQUENCE MSRAENFKQV EYLLIHGTAD DNVHFQQSAQ LSKALVDAGV DFQTMWYTDE DATA SEQUENCE DHGIASNMAH QHIYTHMSHF LKQcFSLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 39 S HA 0.000 nan 4.470 nan 0.000 0.327 39 S C 0.000 174.639 174.600 0.064 0.000 1.055 39 S CA 0.000 58.237 58.200 0.062 0.000 1.107 39 S CB 0.000 63.233 63.200 0.055 0.000 0.593 40 R N 1.583 122.128 120.500 0.074 0.000 2.674 40 R HA 0.765 5.105 4.340 -0.000 0.000 0.266 40 R C -0.350 175.996 176.300 0.076 0.000 1.016 40 R CA -1.050 55.096 56.100 0.077 0.000 1.062 40 R CB 0.926 31.276 30.300 0.083 0.000 1.142 40 R HN 0.109 nan 8.270 nan 0.000 0.517 41 R N 0.137 120.691 120.500 0.091 0.000 2.726 41 R HA 0.146 4.485 4.340 -0.000 0.000 0.272 41 R C 0.058 176.414 176.300 0.093 0.000 1.097 41 R CA 0.193 56.352 56.100 0.099 0.000 1.198 41 R CB 0.551 30.930 30.300 0.132 0.000 1.114 41 R HN 0.841 nan 8.270 nan 0.000 0.550 42 T N -2.365 112.248 114.554 0.098 0.000 2.949 42 T HA 0.216 4.566 4.350 -0.000 0.000 0.287 42 T C -0.821 173.969 174.700 0.150 0.000 1.034 42 T CA -0.741 61.418 62.100 0.099 0.000 1.018 42 T CB 0.919 69.839 68.868 0.086 0.000 1.135 42 T HN 0.494 nan 8.240 nan 0.000 0.532 43 Y N 2.587 122.889 120.300 0.003 0.000 2.486 43 Y HA 0.405 4.955 4.550 -0.001 0.000 0.348 43 Y C 0.905 176.901 175.900 0.160 0.000 1.000 43 Y CA -0.280 57.815 58.100 -0.009 0.000 1.253 43 Y CB 0.122 38.508 38.460 -0.124 0.000 1.140 43 Y HN 1.033 nan 8.280 nan 0.000 0.526 44 T N 2.670 117.189 114.554 -0.059 0.000 2.881 44 T HA 0.149 4.499 4.350 -0.000 0.000 0.278 44 T C 0.939 175.508 174.700 -0.218 0.000 0.982 44 T CA -0.725 61.395 62.100 0.033 0.000 0.989 44 T CB 1.251 70.119 68.868 0.001 0.000 1.058 44 T HN 0.707 nan 8.240 nan 0.000 0.529 45 L N 1.029 121.922 121.223 -0.551 0.000 2.046 45 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 45 L C 2.603 179.318 176.870 -0.258 0.000 1.077 45 L CA 2.173 56.567 54.840 -0.743 0.000 0.747 45 L CB -1.525 40.027 42.059 -0.845 0.000 0.896 45 L HN 0.952 nan 8.230 nan 0.000 0.432 46 T N -0.406 114.034 114.554 -0.190 0.000 2.746 46 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 46 T C 1.497 176.136 174.700 -0.102 0.000 1.039 46 T CA 1.476 63.510 62.100 -0.110 0.000 1.142 46 T CB -0.374 68.454 68.868 -0.067 0.000 0.866 46 T HN 0.425 nan 8.240 nan 0.000 0.444 47 D N 0.096 120.404 120.400 -0.154 0.000 2.123 47 D HA -0.106 4.533 4.640 -0.000 0.000 0.196 47 D C 1.748 177.984 176.300 -0.106 0.000 0.992 47 D CA 1.113 55.029 54.000 -0.140 0.000 0.833 47 D CB -0.366 40.211 40.800 -0.372 0.000 0.954 47 D HN 0.429 nan 8.370 nan 0.000 0.455 48 Y N 1.481 121.601 120.300 -0.300 0.000 2.163 48 Y HA -0.106 4.444 4.550 -0.000 0.000 0.288 48 Y C 2.231 178.155 175.900 0.041 0.000 1.136 48 Y CA 1.203 59.306 58.100 0.005 0.000 1.147 48 Y CB -0.571 37.953 38.460 0.106 0.000 0.987 48 Y HN -0.103 nan 8.280 nan 0.000 0.509 49 L N -0.025 121.057 121.223 -0.236 0.000 2.093 49 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 49 L C 1.885 178.673 176.870 -0.137 0.000 1.085 49 L CA 1.265 55.944 54.840 -0.269 0.000 0.755 49 L CB -0.437 41.531 42.059 -0.153 0.000 0.904 49 L HN 0.049 nan 8.230 nan 0.000 0.435 50 K N -0.289 120.061 120.400 -0.085 0.000 2.417 50 K HA 0.161 4.481 4.320 -0.000 0.000 0.196 50 K C 0.699 177.286 176.600 -0.023 0.000 1.023 50 K CA 0.024 56.284 56.287 -0.045 0.000 1.122 50 K CB 0.401 32.881 32.500 -0.034 0.000 0.850 50 K HN 0.050 nan 8.250 nan 0.000 0.521 51 S N 1.206 116.900 115.700 -0.010 0.000 3.491 51 S HA -0.154 4.315 4.470 -0.000 0.000 0.371 51 S C 1.322 175.975 174.600 0.087 0.000 0.980 51 S CA 1.055 59.296 58.200 0.069 0.000 1.204 51 S CB -1.618 61.603 63.200 0.035 0.000 0.915 51 S HN 0.654 nan 8.310 nan 0.000 0.482 52 T N -2.356 112.249 114.554 0.085 0.000 2.915 52 T HA 0.028 4.378 4.350 -0.000 0.000 0.269 52 T C 0.408 175.030 174.700 -0.130 0.000 1.071 52 T CA 0.735 62.804 62.100 -0.050 0.000 1.132 52 T CB -0.322 68.469 68.868 -0.128 0.000 0.878 52 T HN 0.420 nan 8.240 nan 0.000 0.479 53 F N 2.188 122.220 119.950 0.137 0.000 2.313 53 F HA 0.589 5.116 4.527 -0.001 0.000 0.369 53 F C 0.527 176.435 175.800 0.180 0.000 1.109 53 F CA -1.398 56.715 58.000 0.189 0.000 1.132 53 F CB 0.804 39.996 39.000 0.322 0.000 1.291 53 F HN -0.127 nan 8.300 nan 0.000 0.496 54 R N 2.359 122.991 120.500 0.220 0.000 2.254 54 R HA 0.530 4.870 4.340 -0.000 0.000 0.318 54 R C -1.316 175.100 176.300 0.193 0.000 1.031 54 R CA -0.441 55.767 56.100 0.180 0.000 0.905 54 R CB 0.902 31.251 30.300 0.082 0.000 1.050 54 R HN 0.414 nan 8.270 nan 0.000 0.456 55 V N 6.034 126.089 119.914 0.234 0.000 2.406 55 V HA 0.295 4.414 4.120 -0.000 0.000 0.272 55 V C 0.316 176.524 176.094 0.189 0.000 1.043 55 V CA -0.451 62.000 62.300 0.252 0.000 0.915 55 V CB 1.092 33.128 31.823 0.355 0.000 0.988 55 V HN 0.690 nan 8.190 nan 0.000 0.466 56 K N 4.505 124.956 120.400 0.084 0.000 2.087 56 K HA 0.711 5.031 4.320 -0.000 0.000 0.255 56 K C -0.662 175.919 176.600 -0.032 0.000 0.988 56 K CA -0.263 55.948 56.287 -0.127 0.000 0.915 56 K CB 1.431 33.830 32.500 -0.170 0.000 1.043 56 K HN 0.586 nan 8.250 nan 0.000 0.457 57 F N -1.487 118.409 119.950 -0.089 0.000 2.790 57 F HA 0.512 5.039 4.527 -0.000 0.000 0.337 57 F C -1.225 174.242 175.800 -0.556 0.000 1.163 57 F CA -1.343 56.377 58.000 -0.465 0.000 0.997 57 F CB 0.768 39.663 39.000 -0.175 0.000 1.437 57 F HN 0.372 nan 8.300 nan 0.000 0.512 58 Y N 0.597 120.453 120.300 -0.739 0.000 2.475 58 Y HA 0.450 5.000 4.550 -0.000 0.000 0.343 58 Y C -1.024 174.827 175.900 -0.081 0.000 1.068 58 Y CA -0.629 57.250 58.100 -0.368 0.000 1.307 58 Y CB 1.205 39.333 38.460 -0.553 0.000 1.097 58 Y HN 0.737 nan 8.280 nan 0.000 0.530 59 T N 6.909 121.515 114.554 0.087 0.000 2.728 59 T HA 0.521 4.871 4.350 -0.000 0.000 0.296 59 T C -0.525 174.219 174.700 0.074 0.000 0.940 59 T CA -0.293 61.869 62.100 0.104 0.000 1.013 59 T CB -0.048 68.898 68.868 0.130 0.000 0.912 59 T HN 0.503 nan 8.240 nan 0.000 0.484 60 L N 1.748 122.977 121.223 0.009 0.000 2.279 60 L HA 0.749 5.089 4.340 -0.000 0.000 0.262 60 L C -0.496 176.363 176.870 -0.018 0.000 1.019 60 L CA -1.044 53.779 54.840 -0.028 0.000 0.823 60 L CB 1.362 43.157 42.059 -0.440 0.000 1.358 60 L HN 0.355 nan 8.230 nan 0.000 0.432 61 Q N 0.674 120.514 119.800 0.066 0.000 2.347 61 Q HA 0.327 4.666 4.340 -0.000 0.000 0.265 61 Q C -1.809 174.302 176.000 0.186 0.000 1.024 61 Q CA -0.206 55.672 55.803 0.125 0.000 0.731 61 Q CB 1.451 30.283 28.738 0.157 0.000 1.245 61 Q HN 0.645 nan 8.270 nan 0.000 0.472 62 W N 4.233 125.658 121.300 0.209 0.000 2.308 62 W HA 0.091 4.750 4.660 -0.001 0.000 0.324 62 W C 1.261 177.873 176.519 0.155 0.000 1.387 62 W CA -0.227 57.245 57.345 0.211 0.000 1.250 62 W CB 0.489 30.067 29.460 0.196 0.000 1.257 62 W HN 0.659 nan 8.180 nan 0.000 0.554 63 I N 0.803 121.613 120.570 0.400 0.000 4.240 63 I HA 0.347 4.517 4.170 -0.000 0.000 0.331 63 I C 0.477 176.694 176.117 0.167 0.000 1.381 63 I CA -0.196 61.231 61.300 0.213 0.000 1.136 63 I CB -0.176 37.880 38.000 0.092 0.000 1.137 63 I HN 0.251 nan 8.210 nan 0.000 0.411 64 S N 0.357 116.185 115.700 0.213 0.000 2.755 64 S HA 0.189 4.658 4.470 -0.000 0.000 0.286 64 S C 0.010 174.706 174.600 0.161 0.000 1.207 64 S CA 0.060 58.346 58.200 0.144 0.000 0.892 64 S CB 0.826 64.056 63.200 0.049 0.000 1.240 64 S HN 0.290 nan 8.310 nan 0.000 0.525 65 D N 0.224 120.739 120.400 0.192 0.000 2.347 65 D HA -0.056 4.583 4.640 -0.000 0.000 0.215 65 D C 1.021 177.500 176.300 0.298 0.000 0.976 65 D CA 1.341 55.447 54.000 0.177 0.000 0.884 65 D CB -0.523 40.392 40.800 0.192 0.000 0.915 65 D HN 0.858 nan 8.370 nan 0.000 0.526 66 H N -1.597 117.588 119.070 0.192 0.000 3.480 66 H HA 0.434 4.990 4.556 -0.000 0.000 0.257 66 H C -0.703 174.749 175.328 0.206 0.000 1.196 66 H CA -0.450 55.706 56.048 0.181 0.000 1.100 66 H CB -0.131 29.696 29.762 0.108 0.000 1.683 66 H HN 0.006 nan 8.280 nan 0.000 0.702 67 E N 1.036 121.229 120.200 -0.012 0.000 2.317 67 E HA 0.468 4.818 4.350 -0.000 0.000 0.270 67 E C -1.573 175.210 176.600 0.305 0.000 0.885 67 E CA -1.193 55.203 56.400 -0.007 0.000 0.760 67 E CB 2.776 32.336 29.700 -0.234 0.000 1.227 67 E HN 0.314 nan 8.360 nan 0.000 0.434 68 Y N -0.510 119.833 120.300 0.072 0.000 2.562 68 Y HA 0.637 5.187 4.550 -0.001 0.000 0.345 68 Y C -1.727 174.205 175.900 0.054 0.000 1.045 68 Y CA -1.355 56.721 58.100 -0.040 0.000 1.028 68 Y CB 0.829 38.945 38.460 -0.573 0.000 1.297 68 Y HN 0.354 nan 8.280 nan 0.000 0.463 69 L N 3.262 124.653 121.223 0.281 0.000 2.344 69 L HA 0.538 4.877 4.340 -0.000 0.000 0.272 69 L C -1.305 175.853 176.870 0.479 0.000 1.035 69 L CA -1.092 53.897 54.840 0.249 0.000 0.807 69 L CB 1.675 43.811 42.059 0.127 0.000 1.237 69 L HN 0.807 nan 8.230 nan 0.000 0.442 70 Y N 2.135 122.591 120.300 0.260 0.000 2.401 70 Y HA 0.307 4.856 4.550 -0.000 0.000 0.330 70 Y C -0.897 175.051 175.900 0.079 0.000 1.071 70 Y CA -1.220 56.988 58.100 0.180 0.000 1.049 70 Y CB 1.506 40.100 38.460 0.223 0.000 1.239 70 Y HN 0.440 nan 8.280 nan 0.000 0.437 71 K N 5.437 125.491 120.400 -0.578 0.000 2.253 71 K HA 0.337 4.657 4.320 -0.000 0.000 0.277 71 K C -1.133 174.973 176.600 -0.824 0.000 1.053 71 K CA -0.460 55.507 56.287 -0.534 0.000 0.892 71 K CB 0.835 33.189 32.500 -0.244 0.000 1.102 71 K HN 0.862 nan 8.250 nan 0.000 0.469 72 Q N 3.736 123.226 119.800 -0.516 0.000 2.325 72 Q HA 0.119 4.459 4.340 -0.000 0.000 0.270 72 Q C -0.592 175.281 176.000 -0.211 0.000 1.020 72 Q CA -0.098 55.495 55.803 -0.349 0.000 0.785 72 Q CB 1.099 29.791 28.738 -0.077 0.000 1.259 72 Q HN 0.871 nan 8.270 nan 0.000 0.452 73 E N 2.550 122.633 120.200 -0.195 0.000 4.540 73 E HA -0.372 3.978 4.350 -0.000 0.000 0.175 73 E C 0.116 176.579 176.600 -0.228 0.000 1.236 73 E CA 1.429 57.730 56.400 -0.164 0.000 2.396 73 E CB -0.787 28.845 29.700 -0.114 0.000 1.797 73 E HN 0.769 nan 8.360 nan 0.000 0.437 74 N N -0.242 118.291 118.700 -0.278 0.000 1.926 74 N HA 0.014 4.754 4.740 -0.000 0.000 0.236 74 N C -1.459 173.804 175.510 -0.410 0.000 1.483 74 N CA 0.160 52.932 53.050 -0.464 0.000 0.857 74 N CB 0.221 38.430 38.487 -0.463 0.000 1.084 74 N HN 0.092 nan 8.380 nan 0.000 0.647 75 N N 1.014 119.594 118.700 -0.199 0.000 2.473 75 N HA 0.459 5.199 4.740 -0.000 0.000 0.291 75 N C -0.329 175.129 175.510 -0.088 0.000 1.083 75 N CA -0.041 52.973 53.050 -0.060 0.000 0.951 75 N CB 1.707 40.176 38.487 -0.030 0.000 1.164 75 N HN 0.067 nan 8.380 nan 0.000 0.480 76 I N 2.321 122.887 120.570 -0.007 0.000 2.312 76 I HA 0.257 4.427 4.170 -0.000 0.000 0.290 76 I C -0.533 175.612 176.117 0.046 0.000 1.008 76 I CA -0.541 60.718 61.300 -0.068 0.000 1.226 76 I CB 0.481 38.416 38.000 -0.110 0.000 1.371 76 I HN 0.243 nan 8.210 nan 0.000 0.468 77 L N 6.656 127.909 121.223 0.049 0.000 2.325 77 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 77 L C -0.562 176.296 176.870 -0.021 0.000 1.023 77 L CA -0.898 53.947 54.840 0.008 0.000 0.811 77 L CB 1.895 43.960 42.059 0.010 0.000 1.249 77 L HN 0.414 nan 8.230 nan 0.000 0.431 78 L N 2.565 123.698 121.223 -0.150 0.000 2.282 78 L HA 0.567 4.906 4.340 -0.000 0.000 0.288 78 L C -1.240 175.388 176.870 -0.405 0.000 1.033 78 L CA 0.284 55.027 54.840 -0.162 0.000 0.807 78 L CB 0.883 42.928 42.059 -0.024 0.000 1.209 78 L HN 0.222 nan 8.230 nan 0.000 0.423 79 F N 3.870 123.563 119.950 -0.428 0.000 2.495 79 F HA 0.451 4.978 4.527 -0.001 0.000 0.327 79 F C 0.347 175.858 175.800 -0.481 0.000 1.103 79 F CA -0.518 57.144 58.000 -0.564 0.000 0.949 79 F CB 1.548 39.854 39.000 -1.156 0.000 1.142 79 F HN 0.512 nan 8.300 nan 0.000 0.457 80 N N 2.195 120.836 118.700 -0.097 0.000 2.469 80 N HA 0.336 5.076 4.740 -0.000 0.000 0.253 80 N C 0.334 175.814 175.510 -0.051 0.000 0.970 80 N CA 0.038 53.056 53.050 -0.054 0.000 0.940 80 N CB 1.856 40.379 38.487 0.060 0.000 1.128 80 N HN 0.783 nan 8.380 nan 0.000 0.503 81 A N 3.494 126.236 122.820 -0.130 0.000 1.968 81 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 81 A C 1.836 179.197 177.584 -0.372 0.000 1.169 81 A CA 1.164 53.023 52.037 -0.297 0.000 0.638 81 A CB -0.303 18.327 19.000 -0.616 0.000 0.812 81 A HN 0.842 nan 8.150 nan 0.000 0.446 82 E N -1.378 118.636 120.200 -0.310 0.000 2.047 82 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 82 E C 1.417 177.951 176.600 -0.110 0.000 0.987 82 E CA 1.285 57.568 56.400 -0.195 0.000 0.799 82 E CB -0.190 29.305 29.700 -0.341 0.000 0.752 82 E HN 0.667 nan 8.360 nan 0.000 0.449 83 Y N -0.824 119.510 120.300 0.058 0.000 2.517 83 Y HA 0.261 4.811 4.550 -0.000 0.000 0.281 83 Y C 1.789 177.706 175.900 0.028 0.000 1.125 83 Y CA 0.601 58.727 58.100 0.043 0.000 1.283 83 Y CB 0.487 38.973 38.460 0.043 0.000 1.042 83 Y HN 0.317 nan 8.280 nan 0.000 0.547 84 G N 0.477 109.362 108.800 0.143 0.000 2.205 84 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.261 84 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.261 84 G C 0.315 175.278 174.900 0.106 0.000 0.980 84 G CA 0.355 45.516 45.100 0.101 0.000 0.632 84 G HN 0.466 nan 8.290 nan 0.000 0.533 85 N N 0.657 119.423 118.700 0.110 0.000 2.434 85 N HA 0.682 5.422 4.740 -0.000 0.000 0.266 85 N C 0.066 175.557 175.510 -0.032 0.000 1.223 85 N CA 0.504 53.583 53.050 0.048 0.000 0.972 85 N CB 1.608 40.123 38.487 0.047 0.000 1.207 85 N HN 0.974 nan 8.380 nan 0.000 0.525 86 S N -1.753 113.859 115.700 -0.146 0.000 2.685 86 S HA 0.807 5.277 4.470 -0.000 0.000 0.282 86 S C -1.001 173.433 174.600 -0.276 0.000 1.159 86 S CA -0.719 57.246 58.200 -0.391 0.000 0.833 86 S CB 1.115 63.738 63.200 -0.963 0.000 1.151 86 S HN 1.170 nan 8.310 nan 0.000 0.485 87 S N -0.142 115.378 115.700 -0.301 0.000 2.543 87 S HA 0.523 4.992 4.470 -0.000 0.000 0.274 87 S C -1.019 173.506 174.600 -0.125 0.000 1.149 87 S CA -1.080 57.024 58.200 -0.159 0.000 0.866 87 S CB 0.126 63.276 63.200 -0.083 0.000 1.111 87 S HN 0.838 nan 8.310 nan 0.000 0.457 88 I N 2.891 123.416 120.570 -0.074 0.000 2.598 88 I HA 0.108 4.278 4.170 -0.000 0.000 0.284 88 I C 0.943 177.082 176.117 0.037 0.000 1.140 88 I CA -0.071 61.216 61.300 -0.022 0.000 1.420 88 I CB 0.258 38.243 38.000 -0.025 0.000 1.387 88 I HN 0.808 nan 8.210 nan 0.000 0.553 89 F N 8.165 128.071 119.950 -0.074 0.000 2.219 89 F HA 0.095 4.622 4.527 -0.001 0.000 0.294 89 F C 0.421 176.201 175.800 -0.033 0.000 1.086 89 F CA 0.537 58.506 58.000 -0.051 0.000 1.330 89 F CB 0.497 39.471 39.000 -0.044 0.000 1.047 89 F HN 0.280 nan 8.300 nan 0.000 0.495 90 L N -0.522 120.735 121.223 0.057 0.000 2.751 90 L HA 0.372 4.712 4.340 -0.000 0.000 0.261 90 L C -0.956 175.936 176.870 0.035 0.000 0.927 90 L CA -1.011 53.809 54.840 -0.033 0.000 0.968 90 L CB 0.414 42.426 42.059 -0.077 0.000 1.432 90 L HN 0.021 nan 8.230 nan 0.000 0.439 91 E N 2.094 122.291 120.200 -0.005 0.000 2.428 91 E HA 0.031 4.381 4.350 -0.000 0.000 0.257 91 E C 0.591 177.246 176.600 0.093 0.000 1.197 91 E CA -0.001 56.414 56.400 0.024 0.000 0.974 91 E CB 0.980 30.674 29.700 -0.010 0.000 0.976 91 E HN 0.721 nan 8.360 nan 0.000 0.463 92 N N 0.992 119.746 118.700 0.089 0.000 2.069 92 N HA -0.154 4.585 4.740 -0.000 0.000 0.191 92 N C 0.612 176.211 175.510 0.149 0.000 1.031 92 N CA 1.361 54.493 53.050 0.137 0.000 0.852 92 N CB -0.228 38.268 38.487 0.015 0.000 1.018 92 N HN 0.385 nan 8.380 nan 0.000 0.423 93 S N -0.490 115.228 115.700 0.030 0.000 3.902 93 S HA 0.098 4.567 4.470 -0.000 0.000 0.176 93 S C 0.269 174.816 174.600 -0.089 0.000 1.153 93 S CA 0.144 58.333 58.200 -0.019 0.000 0.954 93 S CB -0.319 62.865 63.200 -0.026 0.000 1.530 93 S HN 0.300 nan 8.310 nan 0.000 0.445 94 T N -0.326 114.130 114.554 -0.165 0.000 3.419 94 T HA 0.191 4.541 4.350 -0.000 0.000 0.291 94 T C -0.427 173.901 174.700 -0.620 0.000 0.865 94 T CA -0.388 61.467 62.100 -0.409 0.000 0.861 94 T CB -0.112 68.376 68.868 -0.634 0.000 1.229 94 T HN 0.491 nan 8.240 nan 0.000 0.727 95 F N 3.515 123.269 119.950 -0.327 0.000 2.335 95 F HA 0.391 4.918 4.527 -0.000 0.000 0.365 95 F C -0.139 175.491 175.800 -0.283 0.000 1.122 95 F CA -1.094 56.657 58.000 -0.414 0.000 1.151 95 F CB 0.553 39.313 39.000 -0.399 0.000 1.282 95 F HN -0.052 nan 8.300 nan 0.000 0.513 96 D N 4.013 124.310 120.400 -0.171 0.000 2.499 96 D HA 0.008 4.648 4.640 -0.000 0.000 0.225 96 D C 0.211 176.409 176.300 -0.170 0.000 1.124 96 D CA -0.264 53.656 54.000 -0.134 0.000 0.938 96 D CB 0.595 41.323 40.800 -0.120 0.000 1.014 96 D HN 0.499 nan 8.370 nan 0.000 0.517 97 E N 1.899 122.020 120.200 -0.131 0.000 2.905 97 E HA -0.132 4.217 4.350 -0.000 0.000 0.240 97 E C -0.219 176.304 176.600 -0.128 0.000 0.990 97 E CA 0.338 56.660 56.400 -0.131 0.000 0.954 97 E CB 0.558 30.219 29.700 -0.065 0.000 0.908 97 E HN 0.472 nan 8.360 nan 0.000 0.532 98 L N 3.634 124.753 121.223 -0.173 0.000 2.719 98 L HA 0.379 4.719 4.340 -0.000 0.000 0.236 98 L C 1.119 178.021 176.870 0.054 0.000 1.285 98 L CA 0.095 54.890 54.840 -0.075 0.000 1.222 98 L CB -0.313 41.687 42.059 -0.098 0.000 1.493 98 L HN 0.917 nan 8.230 nan 0.000 0.415 99 G N -0.787 108.002 108.800 -0.019 0.000 2.535 99 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.095 99 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.095 99 G C -0.199 174.495 174.900 -0.344 0.000 2.409 99 G CA -0.162 44.873 45.100 -0.107 0.000 1.254 99 G HN 0.143 nan 8.290 nan 0.000 0.367 100 Y N 0.509 120.836 120.300 0.045 0.000 2.639 100 Y HA 0.785 5.335 4.550 -0.001 0.000 0.105 100 Y C 1.464 177.369 175.900 0.007 0.000 0.906 100 Y CA 0.455 58.569 58.100 0.022 0.000 1.834 100 Y CB -0.313 38.164 38.460 0.029 0.000 1.159 100 Y HN 0.499 nan 8.280 nan 0.000 0.238 101 S N -0.287 115.554 115.700 0.236 0.000 2.713 101 S HA 0.702 5.172 4.470 -0.000 0.000 0.283 101 S C -0.127 174.540 174.600 0.112 0.000 1.161 101 S CA 0.375 58.633 58.200 0.096 0.000 0.999 101 S CB 0.752 63.975 63.200 0.039 0.000 1.039 101 S HN 0.644 nan 8.310 nan 0.000 0.548 102 T N -0.226 114.358 114.554 0.050 0.000 2.584 102 T HA 0.462 4.812 4.350 -0.000 0.000 0.273 102 T C -1.009 173.733 174.700 0.070 0.000 0.978 102 T CA -0.391 61.771 62.100 0.104 0.000 1.159 102 T CB -0.431 68.431 68.868 -0.011 0.000 1.556 102 T HN 1.281 nan 8.240 nan 0.000 0.472 103 N N 0.786 119.562 118.700 0.128 0.000 4.031 103 N HA -0.165 4.575 4.740 -0.000 0.000 0.319 103 N C -1.113 174.523 175.510 0.211 0.000 2.096 103 N CA 1.101 54.267 53.050 0.194 0.000 3.163 103 N CB -1.034 37.414 38.487 -0.065 0.000 0.236 103 N HN 1.219 nan 8.380 nan 0.000 0.894 104 D N 0.509 121.126 120.400 0.362 0.000 3.816 104 D HA 0.059 4.699 4.640 -0.000 0.000 0.228 104 D C -0.385 176.112 176.300 0.329 0.000 1.508 104 D CA -0.397 53.762 54.000 0.266 0.000 1.093 104 D CB -0.805 40.092 40.800 0.163 0.000 1.326 104 D HN 0.567 nan 8.370 nan 0.000 0.787 105 Y N 0.058 120.592 120.300 0.390 0.000 2.546 105 Y HA 0.506 5.056 4.550 -0.000 0.000 0.351 105 Y C 0.124 176.206 175.900 0.304 0.000 1.266 105 Y CA -0.214 58.138 58.100 0.420 0.000 1.487 105 Y CB 0.747 39.499 38.460 0.487 0.000 1.365 105 Y HN 0.081 nan 8.280 nan 0.000 0.642 106 S N 2.163 118.045 115.700 0.304 0.000 2.653 106 S HA 0.441 4.911 4.470 -0.000 0.000 0.268 106 S C -1.710 173.188 174.600 0.496 0.000 1.153 106 S CA -0.831 57.537 58.200 0.281 0.000 1.036 106 S CB 0.303 63.678 63.200 0.291 0.000 1.103 106 S HN 0.731 nan 8.310 nan 0.000 0.466 107 V N 4.999 125.108 119.914 0.324 0.000 2.546 107 V HA 0.489 4.608 4.120 -0.000 0.000 0.284 107 V C 0.906 176.849 176.094 -0.252 0.000 1.050 107 V CA -0.479 61.906 62.300 0.141 0.000 0.981 107 V CB 1.493 33.374 31.823 0.097 0.000 0.990 107 V HN 1.004 nan 8.190 nan 0.000 0.474 108 S N 6.624 121.836 115.700 -0.814 0.000 2.573 108 S HA 0.155 4.625 4.470 -0.000 0.000 0.277 108 S C -1.200 173.108 174.600 -0.487 0.000 1.346 108 S CA -0.648 56.720 58.200 -1.388 0.000 1.034 108 S CB 0.689 62.911 63.200 -1.630 0.000 0.879 108 S HN 0.654 nan 8.310 nan 0.000 0.528 109 P HA -0.153 nan 4.420 nan 0.000 0.218 109 P C 0.706 177.956 177.300 -0.083 0.000 1.148 109 P CA 1.592 64.614 63.100 -0.129 0.000 0.822 109 P CB -0.292 31.357 31.700 -0.085 0.000 0.784 110 D N -0.949 119.395 120.400 -0.093 0.000 2.349 110 D HA -0.088 4.552 4.640 -0.000 0.000 0.224 110 D C 0.543 176.832 176.300 -0.019 0.000 1.029 110 D CA -0.084 53.899 54.000 -0.027 0.000 0.879 110 D CB -0.784 40.027 40.800 0.019 0.000 0.906 110 D HN 0.030 nan 8.370 nan 0.000 0.528 111 R N -0.869 119.606 120.500 -0.042 0.000 3.651 111 R HA -0.220 4.120 4.340 -0.000 0.000 0.292 111 R C 0.671 176.949 176.300 -0.037 0.000 1.161 111 R CA 1.049 57.171 56.100 0.037 0.000 0.787 111 R CB -2.501 27.886 30.300 0.145 0.000 1.249 111 R HN 0.389 nan 8.270 nan 0.000 0.476 112 Q N -0.998 118.701 119.800 -0.168 0.000 2.396 112 Q HA 0.204 4.544 4.340 -0.000 0.000 0.209 112 Q C -0.236 175.266 176.000 -0.830 0.000 0.906 112 Q CA 0.659 56.173 55.803 -0.482 0.000 0.927 112 Q CB 0.549 28.952 28.738 -0.558 0.000 1.069 112 Q HN 0.205 nan 8.270 nan 0.000 0.523 113 F N -0.443 119.406 119.950 -0.168 0.000 2.626 113 F HA 0.531 5.058 4.527 -0.000 0.000 0.311 113 F C -0.757 175.036 175.800 -0.011 0.000 1.088 113 F CA -1.156 56.791 58.000 -0.087 0.000 0.949 113 F CB 1.806 40.777 39.000 -0.047 0.000 1.322 113 F HN -0.228 nan 8.300 nan 0.000 0.461 114 I N 2.452 123.218 120.570 0.328 0.000 2.582 114 I HA 0.532 4.702 4.170 -0.000 0.000 0.292 114 I C -1.960 174.232 176.117 0.124 0.000 1.066 114 I CA -1.039 60.384 61.300 0.205 0.000 1.053 114 I CB 1.737 39.724 38.000 -0.023 0.000 1.241 114 I HN 0.536 nan 8.210 nan 0.000 0.421 115 L N 8.136 129.536 121.223 0.295 0.000 2.282 115 L HA 0.549 4.889 4.340 -0.000 0.000 0.288 115 L C -1.605 175.376 176.870 0.185 0.000 1.033 115 L CA 0.228 55.190 54.840 0.204 0.000 0.807 115 L CB 0.938 43.103 42.059 0.177 0.000 1.209 115 L HN 0.402 nan 8.230 nan 0.000 0.423 116 F N 3.910 124.078 119.950 0.365 0.000 2.426 116 F HA 0.406 4.933 4.527 -0.001 0.000 0.348 116 F C 0.303 176.298 175.800 0.325 0.000 1.124 116 F CA -0.706 57.505 58.000 0.351 0.000 1.008 116 F CB 1.569 40.727 39.000 0.264 0.000 1.139 116 F HN 0.471 nan 8.300 nan 0.000 0.452 117 E N 4.931 125.400 120.200 0.447 0.000 2.166 117 E HA 0.403 4.753 4.350 -0.000 0.000 0.275 117 E C -1.605 175.097 176.600 0.169 0.000 0.941 117 E CA -0.522 55.905 56.400 0.045 0.000 0.784 117 E CB 1.335 31.051 29.700 0.026 0.000 1.115 117 E HN 0.585 nan 8.360 nan 0.000 0.399 118 Y N 1.692 121.904 120.300 -0.146 0.000 2.764 118 Y HA 0.411 4.961 4.550 -0.000 0.000 0.331 118 Y C -0.021 175.853 175.900 -0.043 0.000 1.280 118 Y CA -1.474 56.601 58.100 -0.042 0.000 1.065 118 Y CB 0.476 38.939 38.460 0.006 0.000 1.319 118 Y HN 0.585 nan 8.280 nan 0.000 0.453 119 N N -0.083 118.605 118.700 -0.020 0.000 2.776 119 N HA -0.271 4.468 4.740 -0.000 0.000 0.249 119 N C -1.057 174.420 175.510 -0.054 0.000 1.111 119 N CA 0.638 53.645 53.050 -0.072 0.000 0.711 119 N CB -1.037 37.265 38.487 -0.308 0.000 1.065 119 N HN 0.879 nan 8.380 nan 0.000 0.556 120 Y N 0.349 120.555 120.300 -0.156 0.000 2.721 120 Y HA 0.184 4.734 4.550 -0.000 0.000 0.329 120 Y C 0.248 176.088 175.900 -0.101 0.000 1.211 120 Y CA 0.408 58.415 58.100 -0.156 0.000 1.512 120 Y CB 0.572 38.886 38.460 -0.243 0.000 1.249 120 Y HN -0.004 nan 8.280 nan 0.000 0.549 121 V N 8.006 127.839 119.914 -0.134 0.000 2.349 121 V HA 0.176 4.296 4.120 -0.000 0.000 0.284 121 V C -0.194 175.797 176.094 -0.171 0.000 1.014 121 V CA -1.353 60.897 62.300 -0.082 0.000 0.826 121 V CB 1.200 32.977 31.823 -0.078 0.000 1.009 121 V HN 0.665 nan 8.190 nan 0.000 0.431 122 K N 3.882 124.254 120.400 -0.046 0.000 2.401 122 K HA 0.189 4.509 4.320 -0.000 0.000 0.278 122 K C 0.426 176.930 176.600 -0.160 0.000 1.018 122 K CA 0.242 56.511 56.287 -0.030 0.000 0.981 122 K CB 1.113 33.701 32.500 0.147 0.000 0.933 122 K HN 0.817 nan 8.250 nan 0.000 0.477 123 Q N 3.225 122.868 119.800 -0.262 0.000 2.362 123 Q HA 0.173 4.513 4.340 -0.000 0.000 0.190 123 Q C -0.052 175.706 176.000 -0.404 0.000 0.763 123 Q CA -0.397 55.032 55.803 -0.625 0.000 0.681 123 Q CB 0.134 28.309 28.738 -0.938 0.000 2.020 123 Q HN 0.739 nan 8.270 nan 0.000 0.483 124 W N 0.153 121.429 121.300 -0.040 0.000 1.941 124 W HA 0.335 4.994 4.660 -0.001 0.000 0.629 124 W C 1.791 178.278 176.519 -0.053 0.000 1.517 124 W CA -0.564 56.783 57.345 0.003 0.000 1.502 124 W CB -0.124 29.284 29.460 -0.086 0.000 3.266 124 W HN 0.318 nan 8.180 nan 0.000 0.765 125 R N -0.512 120.059 120.500 0.118 0.000 2.081 125 R HA -0.156 4.184 4.340 -0.000 0.000 0.235 125 R C 1.670 177.789 176.300 -0.301 0.000 1.131 125 R CA 2.044 58.042 56.100 -0.170 0.000 0.960 125 R CB -0.481 29.576 30.300 -0.405 0.000 0.856 125 R HN 0.474 nan 8.270 nan 0.000 0.436 126 H N -1.010 118.113 119.070 0.089 0.000 2.927 126 H HA 0.218 4.773 4.556 -0.001 0.000 0.255 126 H C 0.427 175.807 175.328 0.086 0.000 0.974 126 H CA 0.511 56.633 56.048 0.122 0.000 1.199 126 H CB 0.229 30.045 29.762 0.091 0.000 1.447 126 H HN 0.220 nan 8.280 nan 0.000 0.467 127 S N 1.354 117.004 115.700 -0.083 0.000 2.585 127 S HA 0.382 4.852 4.470 -0.000 0.000 0.273 127 S C -0.284 174.108 174.600 -0.346 0.000 1.339 127 S CA -0.468 57.380 58.200 -0.587 0.000 1.028 127 S CB 0.770 63.088 63.200 -1.469 0.000 0.906 127 S HN 0.451 nan 8.310 nan 0.000 0.528 128 Y N -2.310 117.754 120.300 -0.394 0.000 2.741 128 Y HA 0.680 5.230 4.550 -0.000 0.000 0.339 128 Y C -0.782 175.002 175.900 -0.192 0.000 1.226 128 Y CA -0.911 56.938 58.100 -0.418 0.000 1.072 128 Y CB 0.499 38.463 38.460 -0.826 0.000 1.331 128 Y HN 0.885 nan 8.280 nan 0.000 0.453 129 T N -0.241 114.318 114.554 0.008 0.000 2.930 129 T HA 1.021 5.371 4.350 -0.000 0.000 0.290 129 T C -0.519 174.252 174.700 0.120 0.000 1.052 129 T CA -0.148 62.002 62.100 0.084 0.000 1.017 129 T CB 1.824 70.719 68.868 0.045 0.000 1.137 129 T HN 1.877 nan 8.240 nan 0.000 0.511 130 A N 0.760 123.651 122.820 0.119 0.000 2.536 130 A HA 0.800 5.120 4.320 -0.000 0.000 0.293 130 A C -0.652 176.781 177.584 -0.252 0.000 1.119 130 A CA -0.957 51.015 52.037 -0.108 0.000 0.654 130 A CB 1.067 19.968 19.000 -0.165 0.000 1.291 130 A HN 0.851 nan 8.150 nan 0.000 0.439 131 S N -0.754 114.558 115.700 -0.646 0.000 2.593 131 S HA 0.804 5.274 4.470 -0.000 0.000 0.297 131 S C -1.592 172.450 174.600 -0.930 0.000 1.112 131 S CA -0.063 57.728 58.200 -0.683 0.000 1.043 131 S CB 0.681 63.334 63.200 -0.913 0.000 1.054 131 S HN 0.435 nan 8.310 nan 0.000 0.516 132 Y N 0.282 120.476 120.300 -0.176 0.000 2.492 132 Y HA 0.493 5.043 4.550 -0.000 0.000 0.346 132 Y C -0.309 175.691 175.900 0.166 0.000 0.997 132 Y CA -0.965 57.158 58.100 0.039 0.000 1.025 132 Y CB 1.694 40.090 38.460 -0.106 0.000 1.263 132 Y HN 0.482 nan 8.280 nan 0.000 0.454 133 D N 2.553 123.208 120.400 0.425 0.000 2.738 133 D HA 0.522 5.161 4.640 -0.000 0.000 0.237 133 D C -0.942 175.514 176.300 0.259 0.000 1.123 133 D CA -0.320 53.870 54.000 0.318 0.000 0.856 133 D CB 2.695 43.707 40.800 0.353 0.000 1.552 133 D HN 0.408 nan 8.370 nan 0.000 0.480 134 I N 1.930 122.603 120.570 0.172 0.000 2.354 134 I HA 0.242 4.412 4.170 -0.000 0.000 0.292 134 I C -0.787 175.469 176.117 0.232 0.000 0.989 134 I CA -0.955 60.445 61.300 0.167 0.000 1.188 134 I CB 1.283 39.340 38.000 0.094 0.000 1.342 134 I HN 0.232 nan 8.210 nan 0.000 0.457 135 Y N 5.571 125.911 120.300 0.066 0.000 2.331 135 Y HA 0.263 4.812 4.550 -0.000 0.000 0.338 135 Y C -0.033 175.945 175.900 0.130 0.000 0.992 135 Y CA -0.642 57.498 58.100 0.066 0.000 1.121 135 Y CB 1.042 39.490 38.460 -0.019 0.000 1.184 135 Y HN 0.493 nan 8.280 nan 0.000 0.469 136 D N 6.564 126.785 120.400 -0.299 0.000 2.336 136 D HA 0.072 4.711 4.640 -0.000 0.000 0.249 136 D C 0.693 176.662 176.300 -0.552 0.000 1.213 136 D CA 0.309 54.124 54.000 -0.307 0.000 0.870 136 D CB 0.886 41.550 40.800 -0.227 0.000 1.076 136 D HN 0.863 nan 8.370 nan 0.000 0.483 137 L N 3.464 124.443 121.223 -0.407 0.000 2.376 137 L HA -0.077 4.263 4.340 -0.000 0.000 0.219 137 L C 2.047 178.732 176.870 -0.308 0.000 1.133 137 L CA 0.217 54.898 54.840 -0.264 0.000 0.816 137 L CB -0.271 41.658 42.059 -0.216 0.000 0.933 137 L HN 0.350 nan 8.230 nan 0.000 0.449 138 N N 1.682 120.147 118.700 -0.393 0.000 2.081 138 N HA -0.154 4.586 4.740 -0.000 0.000 0.191 138 N C 1.627 176.997 175.510 -0.234 0.000 1.053 138 N CA 1.501 54.373 53.050 -0.296 0.000 0.846 138 N CB -0.181 38.116 38.487 -0.317 0.000 1.032 138 N HN 0.443 nan 8.380 nan 0.000 0.431 139 K N 1.258 121.508 120.400 -0.250 0.000 2.487 139 K HA 0.157 4.476 4.320 -0.000 0.000 0.192 139 K C -0.173 176.289 176.600 -0.231 0.000 1.027 139 K CA 0.016 56.185 56.287 -0.196 0.000 1.054 139 K CB 0.137 32.540 32.500 -0.162 0.000 0.824 139 K HN 0.010 nan 8.250 nan 0.000 0.510 140 R N 1.451 121.755 120.500 -0.327 0.000 3.251 140 R HA -0.200 4.140 4.340 -0.000 0.000 0.249 140 R C -1.033 174.984 176.300 -0.472 0.000 0.949 140 R CA 0.850 56.725 56.100 -0.374 0.000 0.645 140 R CB -1.945 28.315 30.300 -0.067 0.000 1.065 140 R HN 0.603 nan 8.270 nan 0.000 0.452 141 Q N 0.045 119.426 119.800 -0.699 0.000 2.423 141 Q HA 0.518 4.858 4.340 -0.000 0.000 0.278 141 Q C -0.667 175.070 176.000 -0.438 0.000 1.097 141 Q CA -1.063 54.503 55.803 -0.395 0.000 0.809 141 Q CB 2.530 31.155 28.738 -0.188 0.000 1.391 141 Q HN 0.230 nan 8.270 nan 0.000 0.428 142 L N 2.279 123.460 121.223 -0.070 0.000 2.290 142 L HA 0.343 4.683 4.340 -0.000 0.000 0.284 142 L C -0.879 176.012 176.870 0.034 0.000 1.078 142 L CA -0.791 54.104 54.840 0.092 0.000 0.815 142 L CB 0.517 42.693 42.059 0.196 0.000 1.162 142 L HN 0.592 nan 8.230 nan 0.000 0.435 143 I N 4.192 124.793 120.570 0.052 0.000 2.598 143 I HA -0.021 4.149 4.170 -0.000 0.000 0.284 143 I C 1.444 177.578 176.117 0.028 0.000 1.140 143 I CA 0.707 62.026 61.300 0.031 0.000 1.420 143 I CB 1.339 39.356 38.000 0.029 0.000 1.387 143 I HN 0.710 nan 8.210 nan 0.000 0.553 144 T N 1.352 115.912 114.554 0.011 0.000 2.971 144 T HA 0.174 4.524 4.350 -0.000 0.000 0.252 144 T C 0.437 175.132 174.700 -0.009 0.000 1.022 144 T CA -0.367 61.737 62.100 0.006 0.000 0.980 144 T CB -0.015 68.857 68.868 0.006 0.000 1.044 144 T HN 0.531 nan 8.240 nan 0.000 0.501 145 E N 2.026 122.218 120.200 -0.013 0.000 2.242 145 E HA 0.257 4.607 4.350 -0.000 0.000 0.275 145 E C -0.548 176.030 176.600 -0.036 0.000 1.002 145 E CA -0.567 55.819 56.400 -0.022 0.000 0.841 145 E CB 0.726 30.417 29.700 -0.015 0.000 1.109 145 E HN 0.116 nan 8.360 nan 0.000 0.394 146 E N 0.877 121.048 120.200 -0.048 0.000 2.252 146 E HA -0.203 4.147 4.350 -0.000 0.000 0.218 146 E C 0.018 176.560 176.600 -0.097 0.000 1.253 146 E CA 0.674 57.034 56.400 -0.067 0.000 0.705 146 E CB -1.346 28.326 29.700 -0.047 0.000 1.172 146 E HN 0.708 nan 8.360 nan 0.000 0.369 147 R N 0.045 120.482 120.500 -0.105 0.000 2.738 147 R HA 0.278 4.618 4.340 -0.000 0.000 0.268 147 R C 0.629 176.792 176.300 -0.228 0.000 1.062 147 R CA -0.352 55.674 56.100 -0.123 0.000 1.158 147 R CB 0.338 30.591 30.300 -0.079 0.000 1.046 147 R HN 0.138 nan 8.270 nan 0.000 0.493 148 I N 2.973 123.382 120.570 -0.268 0.000 2.556 148 I HA 0.059 4.229 4.170 -0.000 0.000 0.284 148 I C -1.615 174.232 176.117 -0.449 0.000 1.114 148 I CA -1.724 59.278 61.300 -0.497 0.000 1.418 148 I CB 0.483 38.190 38.000 -0.489 0.000 1.394 148 I HN 0.416 nan 8.210 nan 0.000 0.552 149 P HA -0.082 nan 4.420 nan 0.000 0.266 149 P C -0.496 176.593 177.300 -0.352 0.000 1.193 149 P CA 0.016 62.696 63.100 -0.699 0.000 0.770 149 P CB 0.308 31.147 31.700 -1.435 0.000 0.836 150 N N 2.989 121.574 118.700 -0.192 0.000 2.508 150 N HA -0.046 4.693 4.740 -0.000 0.000 0.264 150 N C -0.148 175.461 175.510 0.165 0.000 1.216 150 N CA -0.174 52.870 53.050 -0.010 0.000 0.943 150 N CB -0.028 38.475 38.487 0.027 0.000 1.113 150 N HN 0.365 nan 8.380 nan 0.000 0.447 151 N N 0.664 119.443 118.700 0.133 0.000 2.780 151 N HA -0.140 4.599 4.740 -0.000 0.000 0.248 151 N C -0.989 174.706 175.510 0.308 0.000 1.102 151 N CA 0.658 53.821 53.050 0.189 0.000 0.697 151 N CB -1.860 36.746 38.487 0.198 0.000 1.028 151 N HN 0.515 nan 8.380 nan 0.000 0.554 152 T N 0.665 115.389 114.554 0.283 0.000 2.919 152 T HA 0.129 4.478 4.350 -0.000 0.000 0.302 152 T C 1.739 176.592 174.700 0.254 0.000 1.031 152 T CA 0.085 62.364 62.100 0.299 0.000 1.127 152 T CB 1.189 70.109 68.868 0.086 0.000 0.952 152 T HN 0.178 nan 8.240 nan 0.000 0.540 153 Q N 1.421 121.361 119.800 0.233 0.000 2.297 153 Q HA 0.177 4.517 4.340 -0.000 0.000 0.203 153 Q C 0.129 176.278 176.000 0.250 0.000 0.931 153 Q CA 0.382 56.328 55.803 0.238 0.000 0.885 153 Q CB 0.835 29.679 28.738 0.177 0.000 0.991 153 Q HN 0.680 nan 8.270 nan 0.000 0.498 154 W N -0.220 121.032 121.300 -0.078 0.000 3.275 154 W HA 0.563 5.223 4.660 -0.001 0.000 0.306 154 W C -2.277 174.148 176.519 -0.156 0.000 1.259 154 W CA -0.740 56.517 57.345 -0.146 0.000 1.194 154 W CB 1.265 30.592 29.460 -0.222 0.000 1.375 154 W HN -0.087 nan 8.180 nan 0.000 0.564 155 I N 3.720 123.606 120.570 -1.141 0.000 2.787 155 I HA 0.548 4.718 4.170 -0.000 0.000 0.294 155 I C -1.728 173.825 176.117 -0.940 0.000 1.365 155 I CA 0.044 60.839 61.300 -0.841 0.000 1.029 155 I CB 2.469 39.887 38.000 -0.970 0.000 1.313 155 I HN 0.344 nan 8.210 nan 0.000 0.431 156 T N 4.752 119.041 114.554 -0.442 0.000 3.012 156 T HA 0.439 4.788 4.350 -0.000 0.000 0.330 156 T C -1.611 173.090 174.700 0.002 0.000 1.321 156 T CA -0.281 61.701 62.100 -0.198 0.000 1.067 156 T CB 0.648 69.599 68.868 0.139 0.000 1.235 156 T HN 0.547 nan 8.240 nan 0.000 0.479 157 W N 2.786 124.107 121.300 0.035 0.000 2.093 157 W HA 0.473 5.133 4.660 -0.000 0.000 0.352 157 W C 1.268 177.628 176.519 -0.265 0.000 1.294 157 W CA -0.540 56.773 57.345 -0.054 0.000 1.290 157 W CB 0.573 30.002 29.460 -0.051 0.000 1.149 157 W HN 0.794 nan 8.180 nan 0.000 0.606 158 S N 0.789 116.231 115.700 -0.430 0.000 2.608 158 S HA 0.184 4.654 4.470 -0.000 0.000 0.261 158 S C -1.946 172.397 174.600 -0.428 0.000 1.314 158 S CA -0.975 56.448 58.200 -1.295 0.000 0.992 158 S CB 0.732 63.040 63.200 -1.486 0.000 0.935 158 S HN 0.266 nan 8.310 nan 0.000 0.564 159 P HA 0.114 nan 4.420 nan 0.000 0.229 159 P C 0.039 177.284 177.300 -0.092 0.000 1.160 159 P CA 0.379 63.428 63.100 -0.085 0.000 0.777 159 P CB -0.112 31.584 31.700 -0.007 0.000 0.814 160 V N -6.436 113.378 119.914 -0.167 0.000 3.102 160 V HA 0.894 5.014 4.120 -0.000 0.000 0.312 160 V C 0.596 176.572 176.094 -0.197 0.000 1.135 160 V CA -0.395 61.823 62.300 -0.137 0.000 1.022 160 V CB 0.962 32.719 31.823 -0.111 0.000 1.056 160 V HN 0.347 nan 8.190 nan 0.000 0.436 161 G N 1.704 110.400 108.800 -0.172 0.000 2.550 161 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.277 161 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.277 161 G C 0.248 175.016 174.900 -0.219 0.000 1.190 161 G CA 0.911 45.861 45.100 -0.249 0.000 0.971 161 G HN 2.565 nan 8.290 nan 0.000 0.559 162 H N -0.744 118.291 119.070 -0.057 0.000 3.064 162 H HA 0.424 4.979 4.556 -0.001 0.000 0.232 162 H C 0.179 175.638 175.328 0.218 0.000 1.308 162 H CA -0.202 55.845 56.048 -0.002 0.000 1.010 162 H CB -0.249 29.530 29.762 0.028 0.000 2.408 162 H HN 0.506 nan 8.280 nan 0.000 0.599 163 K N 1.615 122.057 120.400 0.070 0.000 2.168 163 K HA 0.513 4.833 4.320 -0.000 0.000 0.258 163 K C -0.407 176.317 176.600 0.207 0.000 1.010 163 K CA -0.438 55.899 56.287 0.083 0.000 0.929 163 K CB 1.744 34.148 32.500 -0.160 0.000 0.998 163 K HN 0.140 nan 8.250 nan 0.000 0.479 164 L N 1.029 122.386 121.223 0.223 0.000 2.381 164 L HA 0.609 4.949 4.340 -0.000 0.000 0.268 164 L C -0.946 176.123 176.870 0.333 0.000 0.997 164 L CA -0.851 54.077 54.840 0.146 0.000 0.818 164 L CB 2.157 44.130 42.059 -0.143 0.000 1.310 164 L HN 0.710 nan 8.230 nan 0.000 0.416 165 A N 2.325 125.343 122.820 0.330 0.000 2.393 165 A HA 0.857 5.177 4.320 -0.000 0.000 0.306 165 A C -1.655 175.978 177.584 0.081 0.000 1.050 165 A CA -0.381 51.734 52.037 0.129 0.000 0.724 165 A CB 1.360 20.332 19.000 -0.047 0.000 1.248 165 A HN 0.661 nan 8.150 nan 0.000 0.424 166 Y N -0.885 119.382 120.300 -0.055 0.000 2.625 166 Y HA 0.751 5.301 4.550 -0.000 0.000 0.338 166 Y C -1.351 174.573 175.900 0.039 0.000 1.123 166 Y CA -1.560 56.494 58.100 -0.077 0.000 1.046 166 Y CB 1.016 39.362 38.460 -0.190 0.000 1.299 166 Y HN 0.431 nan 8.280 nan 0.000 0.464 167 V N 1.967 122.042 119.914 0.268 0.000 2.448 167 V HA 0.401 4.521 4.120 -0.000 0.000 0.295 167 V C -1.488 174.840 176.094 0.391 0.000 1.025 167 V CA -0.572 61.854 62.300 0.210 0.000 0.859 167 V CB 1.359 33.217 31.823 0.058 0.000 0.988 167 V HN 0.862 nan 8.190 nan 0.000 0.431 168 W N 5.022 126.438 121.300 0.194 0.000 3.042 168 W HA 0.464 5.124 4.660 -0.001 0.000 0.337 168 W C 0.225 176.807 176.519 0.105 0.000 1.086 168 W CA -0.764 56.662 57.345 0.136 0.000 1.236 168 W CB 1.222 30.742 29.460 0.100 0.000 1.381 168 W HN 0.784 nan 8.180 nan 0.000 0.472 169 N N 5.386 123.715 118.700 -0.619 0.000 2.735 169 N HA -0.339 4.401 4.740 -0.000 0.000 0.248 169 N C 0.201 175.541 175.510 -0.284 0.000 1.083 169 N CA 1.032 53.728 53.050 -0.590 0.000 0.703 169 N CB -1.143 36.802 38.487 -0.904 0.000 1.005 169 N HN 0.871 nan 8.380 nan 0.000 0.550 170 N N -1.593 117.003 118.700 -0.172 0.000 2.828 170 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 170 N C -1.354 174.076 175.510 -0.134 0.000 1.044 170 N CA 1.113 54.082 53.050 -0.134 0.000 0.851 170 N CB -0.290 38.065 38.487 -0.220 0.000 1.136 170 N HN 0.425 nan 8.380 nan 0.000 0.572 171 D N 0.421 120.747 120.400 -0.122 0.000 2.457 171 D HA 0.454 5.093 4.640 -0.000 0.000 0.240 171 D C 0.137 176.268 176.300 -0.281 0.000 1.041 171 D CA -0.399 53.449 54.000 -0.253 0.000 0.861 171 D CB 1.636 42.222 40.800 -0.356 0.000 1.394 171 D HN 0.030 nan 8.370 nan 0.000 0.473 172 I N 1.694 121.946 120.570 -0.530 0.000 2.428 172 I HA 0.216 4.386 4.170 -0.000 0.000 0.289 172 I C -0.653 174.971 176.117 -0.821 0.000 1.019 172 I CA -0.328 60.639 61.300 -0.555 0.000 1.351 172 I CB 0.482 38.082 38.000 -0.667 0.000 1.412 172 I HN 0.165 nan 8.210 nan 0.000 0.513 173 Y N 4.030 123.949 120.300 -0.636 0.000 2.512 173 Y HA 0.614 5.163 4.550 -0.001 0.000 0.348 173 Y C -0.374 175.150 175.900 -0.627 0.000 0.990 173 Y CA -0.875 56.788 58.100 -0.728 0.000 1.033 173 Y CB 2.140 39.883 38.460 -1.196 0.000 1.259 173 Y HN 0.117 nan 8.280 nan 0.000 0.461 174 V N 2.920 122.706 119.914 -0.212 0.000 2.656 174 V HA 0.477 4.597 4.120 -0.000 0.000 0.307 174 V C -0.938 175.182 176.094 0.043 0.000 1.051 174 V CA -1.397 60.870 62.300 -0.054 0.000 0.893 174 V CB 2.071 33.887 31.823 -0.012 0.000 0.999 174 V HN 0.618 nan 8.190 nan 0.000 0.426 175 K N 3.042 123.512 120.400 0.117 0.000 2.358 175 K HA 0.463 4.783 4.320 -0.000 0.000 0.260 175 K C 0.557 177.234 176.600 0.128 0.000 0.956 175 K CA -0.329 56.023 56.287 0.109 0.000 0.834 175 K CB 1.646 34.204 32.500 0.096 0.000 1.102 175 K HN 0.611 nan 8.250 nan 0.000 0.431 176 N N 1.273 120.039 118.700 0.110 0.000 2.354 176 N HA -0.065 4.675 4.740 -0.000 0.000 0.179 176 N C -0.346 175.253 175.510 0.149 0.000 1.021 176 N CA 0.726 53.845 53.050 0.114 0.000 0.887 176 N CB 0.454 38.994 38.487 0.088 0.000 0.974 176 N HN 0.436 nan 8.380 nan 0.000 0.437 177 E N -0.664 119.601 120.200 0.108 0.000 2.293 177 E HA 0.204 4.554 4.350 -0.000 0.000 0.270 177 E C -2.016 174.547 176.600 -0.062 0.000 0.879 177 E CA -1.896 54.545 56.400 0.068 0.000 0.756 177 E CB 2.037 31.778 29.700 0.070 0.000 1.208 177 E HN -0.143 nan 8.360 nan 0.000 0.428 178 P HA -0.113 nan 4.420 nan 0.000 0.220 178 P C 0.816 178.022 177.300 -0.155 0.000 1.148 178 P CA 1.098 64.016 63.100 -0.302 0.000 0.803 178 P CB 0.333 31.611 31.700 -0.702 0.000 0.782 179 N N -1.463 117.177 118.700 -0.101 0.000 2.280 179 N HA 0.004 4.744 4.740 -0.000 0.000 0.192 179 N C 0.114 175.612 175.510 -0.019 0.000 1.109 179 N CA 0.284 53.310 53.050 -0.039 0.000 0.855 179 N CB 0.005 38.489 38.487 -0.005 0.000 0.974 179 N HN 0.071 nan 8.380 nan 0.000 0.482 180 L N 1.256 122.471 121.223 -0.013 0.000 2.375 180 L HA 0.355 4.695 4.340 -0.000 0.000 0.268 180 L C 0.596 177.470 176.870 0.007 0.000 1.058 180 L CA -0.392 54.452 54.840 0.007 0.000 0.803 180 L CB 1.553 43.628 42.059 0.026 0.000 1.212 180 L HN -0.010 nan 8.230 nan 0.000 0.451 181 S N 0.585 116.294 115.700 0.014 0.000 2.573 181 S HA 0.152 4.622 4.470 -0.000 0.000 0.277 181 S C 0.292 174.914 174.600 0.037 0.000 1.346 181 S CA -0.494 57.715 58.200 0.016 0.000 1.034 181 S CB 0.768 63.981 63.200 0.022 0.000 0.879 181 S HN 0.695 nan 8.310 nan 0.000 0.528 182 S N 1.450 117.179 115.700 0.049 0.000 2.616 182 S HA 0.461 4.930 4.470 -0.000 0.000 0.277 182 S C -0.626 174.023 174.600 0.082 0.000 1.234 182 S CA -0.819 57.428 58.200 0.078 0.000 1.028 182 S CB 1.047 64.319 63.200 0.120 0.000 0.988 182 S HN 0.577 nan 8.310 nan 0.000 0.522 183 Q N 1.360 121.189 119.800 0.049 0.000 2.303 183 Q HA 0.338 4.678 4.340 -0.000 0.000 0.257 183 Q C -0.313 175.631 176.000 -0.094 0.000 0.941 183 Q CA -0.292 55.521 55.803 0.016 0.000 0.931 183 Q CB 1.013 29.757 28.738 0.009 0.000 1.215 183 Q HN 0.724 nan 8.270 nan 0.000 0.437 184 R N 4.472 124.869 120.500 -0.171 0.000 2.442 184 R HA 0.112 4.452 4.340 -0.000 0.000 0.291 184 R C 0.191 176.184 176.300 -0.511 0.000 1.069 184 R CA -0.078 55.628 56.100 -0.656 0.000 1.022 184 R CB 0.445 30.172 30.300 -0.954 0.000 0.976 184 R HN 0.743 nan 8.270 nan 0.000 0.443 185 I N 1.911 122.081 120.570 -0.666 0.000 3.172 185 I HA -0.008 4.162 4.170 -0.000 0.000 0.278 185 I C 1.056 176.928 176.117 -0.408 0.000 1.174 185 I CA 0.865 61.907 61.300 -0.430 0.000 1.445 185 I CB -0.410 37.303 38.000 -0.478 0.000 1.175 185 I HN 0.629 nan 8.210 nan 0.000 0.447 186 T N -3.798 110.376 114.554 -0.633 0.000 2.907 186 T HA 0.420 4.770 4.350 -0.000 0.000 0.292 186 T C -0.732 173.617 174.700 -0.584 0.000 1.043 186 T CA -0.491 61.352 62.100 -0.428 0.000 1.003 186 T CB 1.981 70.591 68.868 -0.431 0.000 1.084 186 T HN 0.151 nan 8.240 nan 0.000 0.483 187 W N 0.317 121.501 121.300 -0.194 0.000 2.518 187 W HA 0.246 4.906 4.660 0.000 0.000 0.352 187 W C 1.841 178.299 176.519 -0.101 0.000 0.952 187 W CA -0.102 57.163 57.345 -0.133 0.000 1.624 187 W CB 0.214 29.616 29.460 -0.098 0.000 1.135 187 W HN 0.928 nan 8.180 nan 0.000 0.540 188 T N -2.861 111.722 114.554 0.047 0.000 3.060 188 T HA 0.263 4.613 4.350 -0.000 0.000 0.249 188 T C 1.323 176.005 174.700 -0.031 0.000 1.079 188 T CA 0.234 62.348 62.100 0.024 0.000 1.013 188 T CB -0.188 68.697 68.868 0.028 0.000 0.975 188 T HN 0.012 nan 8.240 nan 0.000 0.518 189 G N 1.490 110.238 108.800 -0.086 0.000 2.224 189 G HA2 0.295 4.255 3.960 -0.000 0.000 0.239 189 G HA3 0.295 4.255 3.960 -0.000 0.000 0.239 189 G C -0.543 174.276 174.900 -0.135 0.000 1.240 189 G CA -0.261 44.762 45.100 -0.129 0.000 0.896 189 G HN 0.583 nan 8.290 nan 0.000 0.496 190 K N 2.179 122.469 120.400 -0.183 0.000 2.589 190 K HA 0.165 4.485 4.320 -0.000 0.000 0.253 190 K C -0.147 176.305 176.600 -0.246 0.000 0.974 190 K CA -0.677 55.508 56.287 -0.169 0.000 0.835 190 K CB 1.530 33.973 32.500 -0.096 0.000 1.272 190 K HN 0.657 nan 8.250 nan 0.000 0.444 191 E N 3.433 123.507 120.200 -0.210 0.000 2.708 191 E HA -0.210 4.140 4.350 -0.000 0.000 0.260 191 E C -0.328 176.189 176.600 -0.139 0.000 0.937 191 E CA 1.307 57.593 56.400 -0.190 0.000 0.953 191 E CB 0.010 29.642 29.700 -0.115 0.000 0.915 191 E HN 0.803 nan 8.360 nan 0.000 0.487 192 N N 1.426 120.063 118.700 -0.106 0.000 2.732 192 N HA -0.278 4.462 4.740 -0.000 0.000 0.250 192 N C 0.084 175.650 175.510 0.093 0.000 1.097 192 N CA 0.531 53.634 53.050 0.087 0.000 0.812 192 N CB -0.406 38.132 38.487 0.085 0.000 1.148 192 N HN 0.290 nan 8.380 nan 0.000 0.572 193 V N -1.035 118.843 119.914 -0.061 0.000 3.415 193 V HA 0.258 4.377 4.120 -0.000 0.000 0.204 193 V C 0.021 176.162 176.094 0.078 0.000 1.365 193 V CA 0.362 62.693 62.300 0.050 0.000 1.310 193 V CB 0.741 32.570 31.823 0.010 0.000 1.231 193 V HN 0.072 nan 8.190 nan 0.000 0.538 194 I N 1.265 121.774 120.570 -0.103 0.000 2.389 194 I HA 0.469 4.638 4.170 -0.000 0.000 0.288 194 I C -1.512 174.526 176.117 -0.131 0.000 0.999 194 I CA -0.622 60.683 61.300 0.008 0.000 1.129 194 I CB 1.031 39.036 38.000 0.009 0.000 1.288 194 I HN 0.237 nan 8.210 nan 0.000 0.444 195 Y N 4.613 124.994 120.300 0.136 0.000 2.328 195 Y HA 0.419 4.969 4.550 -0.000 0.000 0.333 195 Y C 0.377 176.349 175.900 0.121 0.000 0.958 195 Y CA -0.872 57.310 58.100 0.137 0.000 1.167 195 Y CB 1.093 39.691 38.460 0.229 0.000 1.151 195 Y HN 0.406 nan 8.280 nan 0.000 0.470 196 N N 2.086 120.860 118.700 0.124 0.000 2.446 196 N HA 0.375 5.115 4.740 -0.000 0.000 0.265 196 N C 0.833 176.316 175.510 -0.044 0.000 0.975 196 N CA 0.441 53.513 53.050 0.037 0.000 0.928 196 N CB 1.887 40.278 38.487 -0.159 0.000 1.160 196 N HN 0.979 nan 8.380 nan 0.000 0.495 197 G N 0.517 109.337 108.800 0.034 0.000 2.199 197 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.254 197 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.254 197 G C 0.005 174.817 174.900 -0.147 0.000 0.982 197 G CA 0.719 45.770 45.100 -0.083 0.000 0.632 197 G HN 0.697 nan 8.290 nan 0.000 0.529 198 V N -1.934 117.944 119.914 -0.061 0.000 3.007 198 V HA 0.928 5.048 4.120 -0.000 0.000 0.311 198 V C 0.349 176.457 176.094 0.023 0.000 1.120 198 V CA -0.008 62.134 62.300 -0.265 0.000 0.980 198 V CB 1.454 32.823 31.823 -0.756 0.000 1.033 198 V HN 1.142 nan 8.190 nan 0.000 0.429 199 T N 0.038 114.506 114.554 -0.144 0.000 2.849 199 T HA 0.484 4.834 4.350 -0.000 0.000 0.284 199 T C -0.119 174.286 174.700 -0.492 0.000 1.004 199 T CA -0.096 61.681 62.100 -0.539 0.000 1.021 199 T CB 1.062 69.594 68.868 -0.560 0.000 1.013 199 T HN 1.113 nan 8.240 nan 0.000 0.527 200 D N -0.175 119.685 120.400 -0.900 0.000 2.478 200 D HA 0.041 4.680 4.640 -0.000 0.000 0.269 200 D C 0.936 177.059 176.300 -0.295 0.000 1.232 200 D CA -1.155 52.331 54.000 -0.855 0.000 1.059 200 D CB 0.130 40.427 40.800 -0.839 0.000 1.104 200 D HN 0.716 nan 8.370 nan 0.000 0.566 201 W N 0.271 121.442 121.300 -0.216 0.000 2.318 201 W HA -0.225 4.435 4.660 -0.001 0.000 0.313 201 W C 2.101 178.468 176.519 -0.254 0.000 1.221 201 W CA 2.279 59.514 57.345 -0.184 0.000 1.266 201 W CB -0.357 28.940 29.460 -0.271 0.000 1.150 201 W HN 0.200 nan 8.180 nan 0.000 0.496 202 V N -0.318 119.608 119.914 0.021 0.000 2.453 202 V HA -0.265 3.854 4.120 -0.000 0.000 0.247 202 V C 1.836 177.688 176.094 -0.403 0.000 1.048 202 V CA 1.876 64.078 62.300 -0.164 0.000 1.049 202 V CB -0.707 31.044 31.823 -0.120 0.000 0.672 202 V HN 0.275 nan 8.190 nan 0.000 0.457 203 Y N 0.776 120.767 120.300 -0.514 0.000 2.242 203 Y HA -0.191 4.359 4.550 -0.000 0.000 0.291 203 Y C 2.570 178.133 175.900 -0.562 0.000 1.137 203 Y CA 2.187 59.885 58.100 -0.670 0.000 1.181 203 Y CB -0.114 37.658 38.460 -1.146 0.000 0.989 203 Y HN 0.401 nan 8.280 nan 0.000 0.527 204 E N 0.383 120.381 120.200 -0.337 0.000 2.038 204 E HA -0.316 4.034 4.350 -0.000 0.000 0.195 204 E C 2.047 178.546 176.600 -0.170 0.000 1.000 204 E CA 1.707 57.994 56.400 -0.188 0.000 0.803 204 E CB -0.073 29.542 29.700 -0.142 0.000 0.750 204 E HN 0.428 nan 8.360 nan 0.000 0.448 205 E N 0.068 119.995 120.200 -0.455 0.000 2.072 205 E HA -0.150 4.199 4.350 -0.000 0.000 0.190 205 E C 1.609 178.090 176.600 -0.198 0.000 0.982 205 E CA 1.532 57.684 56.400 -0.413 0.000 0.803 205 E CB 0.182 29.309 29.700 -0.955 0.000 0.755 205 E HN 0.262 nan 8.360 nan 0.000 0.453 206 E N -0.827 119.226 120.200 -0.245 0.000 2.447 206 E HA 0.099 4.449 4.350 -0.000 0.000 0.204 206 E C 1.609 178.127 176.600 -0.136 0.000 0.977 206 E CA 0.327 56.649 56.400 -0.131 0.000 0.950 206 E CB 1.106 30.711 29.700 -0.159 0.000 0.975 206 E HN 0.200 nan 8.360 nan 0.000 0.496 207 V N -0.113 119.690 119.914 -0.185 0.000 2.870 207 V HA 0.038 4.158 4.120 -0.000 0.000 0.232 207 V C 1.536 177.796 176.094 0.277 0.000 1.161 207 V CA 0.580 62.838 62.300 -0.069 0.000 1.204 207 V CB -0.207 31.410 31.823 -0.343 0.000 1.003 207 V HN 0.030 nan 8.190 nan 0.000 0.499 208 F N 0.744 120.700 119.950 0.010 0.000 2.698 208 F HA 0.296 4.823 4.527 -0.001 0.000 0.295 208 F C 1.664 177.430 175.800 -0.057 0.000 1.124 208 F CA 0.041 58.062 58.000 0.034 0.000 1.426 208 F CB -0.953 38.090 39.000 0.072 0.000 1.120 208 F HN 0.167 nan 8.300 nan 0.000 0.583 209 S N 0.232 115.980 115.700 0.082 0.000 3.581 209 S HA 0.035 4.505 4.470 -0.000 0.000 0.354 209 S C 0.160 174.428 174.600 -0.553 0.000 1.059 209 S CA 0.508 58.612 58.200 -0.159 0.000 1.060 209 S CB -1.672 61.482 63.200 -0.078 0.000 0.908 209 S HN 0.695 nan 8.310 nan 0.000 0.475 210 A N -0.628 122.063 122.820 -0.215 0.000 2.586 210 A HA 0.683 5.003 4.320 -0.000 0.000 0.291 210 A C -0.420 177.196 177.584 0.054 0.000 1.062 210 A CA -0.440 51.505 52.037 -0.153 0.000 0.666 210 A CB 0.234 19.172 19.000 -0.103 0.000 1.281 210 A HN 0.389 nan 8.150 nan 0.000 0.421 211 Y N 1.074 121.264 120.300 -0.183 0.000 2.476 211 Y HA 0.288 4.838 4.550 -0.000 0.000 0.283 211 Y C 1.452 177.132 175.900 -0.366 0.000 1.109 211 Y CA 0.830 58.807 58.100 -0.206 0.000 1.246 211 Y CB 0.098 38.454 38.460 -0.173 0.000 1.068 211 Y HN 0.657 nan 8.280 nan 0.000 0.552 212 S N 0.643 115.935 115.700 -0.680 0.000 2.549 212 S HA 0.460 4.930 4.470 -0.000 0.000 0.283 212 S C 0.354 174.605 174.600 -0.582 0.000 1.320 212 S CA 0.269 57.777 58.200 -1.153 0.000 1.058 212 S CB 0.389 62.543 63.200 -1.743 0.000 0.882 212 S HN 0.425 nan 8.310 nan 0.000 0.498 213 A N 4.459 126.924 122.820 -0.592 0.000 2.806 213 A HA 0.510 4.829 4.320 -0.000 0.000 0.266 213 A C -0.837 176.173 177.584 -0.957 0.000 0.926 213 A CA -0.587 51.172 52.037 -0.462 0.000 1.068 213 A CB -0.311 18.872 19.000 0.306 0.000 1.189 213 A HN 0.790 nan 8.150 nan 0.000 0.481 214 L N -4.682 115.777 121.223 -1.273 0.000 2.409 214 L HA 0.904 5.243 4.340 -0.000 0.000 0.262 214 L C -1.267 175.129 176.870 -0.791 0.000 0.992 214 L CA -1.232 53.147 54.840 -0.768 0.000 0.817 214 L CB 1.061 42.930 42.059 -0.318 0.000 1.350 214 L HN 0.225 nan 8.230 nan 0.000 0.411 215 W N 1.602 122.985 121.300 0.138 0.000 2.802 215 W HA 0.322 4.982 4.660 -0.001 0.000 0.331 215 W C -1.510 175.251 176.519 0.403 0.000 1.021 215 W CA -0.751 56.782 57.345 0.313 0.000 1.259 215 W CB 1.386 31.070 29.460 0.374 0.000 1.323 215 W HN 0.609 nan 8.180 nan 0.000 0.432 216 W N 2.381 123.899 121.300 0.363 0.000 2.170 216 W HA 0.233 4.893 4.660 -0.000 0.000 0.336 216 W C 1.292 177.634 176.519 -0.295 0.000 1.283 216 W CA 0.364 57.776 57.345 0.113 0.000 1.224 216 W CB 0.828 30.326 29.460 0.063 0.000 1.132 216 W HN 0.178 nan 8.180 nan 0.000 0.571 217 S N 2.218 117.645 115.700 -0.455 0.000 2.603 217 S HA 0.209 4.678 4.470 -0.000 0.000 0.268 217 S C -1.817 172.526 174.600 -0.428 0.000 1.317 217 S CA -1.052 56.323 58.200 -1.376 0.000 1.012 217 S CB 1.138 63.552 63.200 -1.309 0.000 0.926 217 S HN 0.275 nan 8.310 nan 0.000 0.539 218 P HA -0.127 nan 4.420 nan 0.000 0.216 218 P C 0.792 178.054 177.300 -0.063 0.000 1.154 218 P CA 1.507 64.570 63.100 -0.060 0.000 0.865 218 P CB -0.054 31.659 31.700 0.022 0.000 0.789 219 N N -2.418 116.230 118.700 -0.087 0.000 2.238 219 N HA 0.167 4.906 4.740 -0.000 0.000 0.222 219 N C 0.873 176.309 175.510 -0.124 0.000 1.133 219 N CA 0.520 53.520 53.050 -0.085 0.000 0.854 219 N CB -0.364 38.092 38.487 -0.053 0.000 1.041 219 N HN 0.029 nan 8.380 nan 0.000 0.510 220 G N -0.972 107.754 108.800 -0.123 0.000 2.184 220 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.264 220 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.264 220 G C 1.173 176.084 174.900 0.019 0.000 0.975 220 G CA 1.023 46.067 45.100 -0.093 0.000 0.642 220 G HN 0.395 nan 8.290 nan 0.000 0.536 221 T N -0.122 114.353 114.554 -0.131 0.000 2.708 221 T HA 0.180 4.530 4.350 -0.000 0.000 0.266 221 T C 0.841 175.297 174.700 -0.407 0.000 1.037 221 T CA 1.458 63.336 62.100 -0.370 0.000 1.146 221 T CB -0.083 68.361 68.868 -0.708 0.000 0.865 221 T HN 0.327 nan 8.240 nan 0.000 0.435 222 F N 0.125 120.110 119.950 0.057 0.000 2.492 222 F HA 0.652 5.178 4.527 -0.001 0.000 0.327 222 F C -0.331 175.535 175.800 0.109 0.000 1.079 222 F CA -1.680 56.391 58.000 0.117 0.000 0.967 222 F CB 1.308 40.431 39.000 0.205 0.000 1.169 222 F HN -0.131 nan 8.300 nan 0.000 0.472 223 L N 2.687 124.061 121.223 0.253 0.000 2.377 223 L HA 0.808 5.148 4.340 -0.000 0.000 0.270 223 L C -0.640 176.328 176.870 0.163 0.000 0.991 223 L CA -0.519 54.289 54.840 -0.053 0.000 0.851 223 L CB 0.637 42.367 42.059 -0.549 0.000 1.218 223 L HN 0.680 nan 8.230 nan 0.000 0.420 224 A N 4.564 127.578 122.820 0.324 0.000 2.293 224 A HA 0.785 5.104 4.320 -0.000 0.000 0.302 224 A C -1.311 176.401 177.584 0.214 0.000 1.119 224 A CA -0.200 51.916 52.037 0.131 0.000 0.823 224 A CB 0.593 19.666 19.000 0.121 0.000 1.097 224 A HN 0.915 nan 8.150 nan 0.000 0.491 225 Y N -1.865 118.298 120.300 -0.228 0.000 2.638 225 Y HA 0.749 5.298 4.550 -0.001 0.000 0.335 225 Y C -0.451 175.384 175.900 -0.109 0.000 1.155 225 Y CA -0.914 57.155 58.100 -0.052 0.000 1.046 225 Y CB 0.850 39.231 38.460 -0.132 0.000 1.303 225 Y HN 0.961 nan 8.280 nan 0.000 0.460 226 A N 2.195 125.137 122.820 0.203 0.000 2.337 226 A HA 0.685 5.004 4.320 -0.000 0.000 0.331 226 A C -1.298 176.180 177.584 -0.177 0.000 1.137 226 A CA -0.861 51.121 52.037 -0.091 0.000 0.807 226 A CB 1.800 20.744 19.000 -0.093 0.000 1.250 226 A HN 0.827 nan 8.150 nan 0.000 0.468 227 Q N 1.314 120.921 119.800 -0.322 0.000 2.330 227 Q HA 0.610 4.950 4.340 -0.000 0.000 0.269 227 Q C -2.035 173.717 176.000 -0.414 0.000 1.022 227 Q CA -0.375 55.348 55.803 -0.132 0.000 0.796 227 Q CB 1.024 29.899 28.738 0.228 0.000 1.271 227 Q HN 0.586 nan 8.270 nan 0.000 0.450 228 F N 2.350 122.375 119.950 0.125 0.000 2.450 228 F HA 0.423 4.949 4.527 -0.000 0.000 0.332 228 F C 0.430 176.351 175.800 0.201 0.000 1.093 228 F CA -0.900 57.138 58.000 0.063 0.000 1.003 228 F CB 1.414 40.349 39.000 -0.109 0.000 1.151 228 F HN 0.456 nan 8.300 nan 0.000 0.474 229 N N 1.832 120.723 118.700 0.319 0.000 2.524 229 N HA 0.212 4.952 4.740 -0.000 0.000 0.261 229 N C -0.916 174.742 175.510 0.248 0.000 0.998 229 N CA -0.350 52.854 53.050 0.257 0.000 0.915 229 N CB 0.989 39.575 38.487 0.165 0.000 1.187 229 N HN 0.541 nan 8.380 nan 0.000 0.507 230 D N 1.395 121.968 120.400 0.288 0.000 2.358 230 D HA 0.114 4.754 4.640 -0.000 0.000 0.224 230 D C 1.239 177.639 176.300 0.167 0.000 1.123 230 D CA 0.187 54.331 54.000 0.240 0.000 0.833 230 D CB 0.522 41.516 40.800 0.323 0.000 0.946 230 D HN 0.477 nan 8.370 nan 0.000 0.505 231 T N 0.378 115.014 114.554 0.136 0.000 2.620 231 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 231 T C 1.457 176.203 174.700 0.076 0.000 1.044 231 T CA 1.398 63.553 62.100 0.092 0.000 1.161 231 T CB -0.100 68.812 68.868 0.073 0.000 0.862 231 T HN 0.307 nan 8.240 nan 0.000 0.438 232 E N 0.254 120.498 120.200 0.074 0.000 2.479 232 E HA 0.140 4.490 4.350 -0.000 0.000 0.193 232 E C -0.300 176.337 176.600 0.062 0.000 1.049 232 E CA -0.268 56.166 56.400 0.058 0.000 0.870 232 E CB 0.422 30.149 29.700 0.046 0.000 0.944 232 E HN 0.224 nan 8.360 nan 0.000 0.492 233 V N 3.286 123.249 119.914 0.082 0.000 2.508 233 V HA 0.108 4.228 4.120 -0.000 0.000 0.281 233 V C -2.001 174.136 176.094 0.073 0.000 1.041 233 V CA -1.596 60.754 62.300 0.083 0.000 1.016 233 V CB 0.514 32.400 31.823 0.105 0.000 0.984 233 V HN 0.028 nan 8.190 nan 0.000 0.478 234 P HA 0.231 nan 4.420 nan 0.000 0.270 234 P C -0.682 176.644 177.300 0.042 0.000 1.223 234 P CA -0.247 62.881 63.100 0.046 0.000 0.785 234 P CB 0.489 32.216 31.700 0.045 0.000 0.923 235 L N 2.066 123.293 121.223 0.007 0.000 2.289 235 L HA 0.416 4.755 4.340 -0.000 0.000 0.285 235 L C 0.374 177.189 176.870 -0.092 0.000 1.049 235 L CA -0.964 53.860 54.840 -0.026 0.000 0.804 235 L CB 0.953 42.990 42.059 -0.036 0.000 1.195 235 L HN 0.305 nan 8.230 nan 0.000 0.428 236 I N 2.813 123.280 120.570 -0.171 0.000 2.428 236 I HA 0.227 4.397 4.170 -0.000 0.000 0.289 236 I C -0.290 175.667 176.117 -0.267 0.000 1.019 236 I CA 0.271 61.371 61.300 -0.333 0.000 1.351 236 I CB 0.815 38.349 38.000 -0.777 0.000 1.412 236 I HN 0.564 nan 8.210 nan 0.000 0.513 237 E N 7.252 127.320 120.200 -0.220 0.000 2.248 237 E HA 0.509 4.859 4.350 -0.000 0.000 0.267 237 E C -1.804 174.727 176.600 -0.116 0.000 0.877 237 E CA -0.608 55.665 56.400 -0.212 0.000 0.759 237 E CB 2.125 31.732 29.700 -0.156 0.000 1.182 237 E HN 0.579 nan 8.360 nan 0.000 0.418 238 Y N -1.820 118.380 120.300 -0.166 0.000 2.581 238 Y HA 0.515 5.065 4.550 -0.000 0.000 0.337 238 Y C -0.703 175.119 175.900 -0.130 0.000 1.108 238 Y CA -1.253 56.759 58.100 -0.147 0.000 1.033 238 Y CB 0.824 39.198 38.460 -0.144 0.000 1.318 238 Y HN 0.199 nan 8.280 nan 0.000 0.459 239 S N 2.124 117.813 115.700 -0.018 0.000 2.565 239 S HA 0.445 4.915 4.470 -0.000 0.000 0.276 239 S C -1.337 173.101 174.600 -0.271 0.000 1.326 239 S CA -0.290 57.754 58.200 -0.260 0.000 1.045 239 S CB 0.353 63.265 63.200 -0.479 0.000 0.918 239 S HN 0.533 nan 8.310 nan 0.000 0.505 240 F N 2.247 121.910 119.950 -0.478 0.000 2.507 240 F HA 0.433 4.960 4.527 -0.000 0.000 0.328 240 F C -0.265 175.277 175.800 -0.429 0.000 1.136 240 F CA -0.950 56.868 58.000 -0.303 0.000 0.930 240 F CB 0.823 39.772 39.000 -0.084 0.000 1.166 240 F HN 0.645 nan 8.300 nan 0.000 0.436 241 Y N 2.737 122.784 120.300 -0.422 0.000 2.365 241 Y HA 0.118 4.668 4.550 -0.000 0.000 0.293 241 Y C 1.717 177.524 175.900 -0.155 0.000 1.119 241 Y CA 1.206 59.167 58.100 -0.232 0.000 1.203 241 Y CB -0.494 37.822 38.460 -0.240 0.000 1.026 241 Y HN 0.736 nan 8.280 nan 0.000 0.549 242 S N -0.232 115.353 115.700 -0.192 0.000 3.633 242 S HA -0.273 4.197 4.470 -0.000 0.000 0.637 242 S C -0.204 174.432 174.600 0.060 0.000 2.289 242 S CA 0.099 58.340 58.200 0.069 0.000 2.476 242 S CB -1.345 61.993 63.200 0.230 0.000 0.330 242 S HN 0.608 nan 8.310 nan 0.000 1.787 243 D N 1.076 121.535 120.400 0.098 0.000 2.449 243 D HA 0.028 4.668 4.640 -0.000 0.000 0.236 243 D C 1.428 177.761 176.300 0.054 0.000 1.149 243 D CA 0.773 54.815 54.000 0.070 0.000 0.878 243 D CB 0.582 41.428 40.800 0.077 0.000 1.198 243 D HN 0.622 nan 8.370 nan 0.000 0.446 244 E N 1.260 121.482 120.200 0.035 0.000 2.219 244 E HA -0.243 4.107 4.350 -0.000 0.000 0.198 244 E C 1.674 178.290 176.600 0.026 0.000 0.998 244 E CA 1.432 57.845 56.400 0.022 0.000 0.818 244 E CB 0.072 29.779 29.700 0.011 0.000 0.741 244 E HN 0.521 nan 8.360 nan 0.000 0.477 245 S N 0.134 115.856 115.700 0.036 0.000 2.453 245 S HA -0.060 4.410 4.470 -0.000 0.000 0.231 245 S C 1.177 175.805 174.600 0.047 0.000 1.005 245 S CA -0.062 58.161 58.200 0.037 0.000 0.949 245 S CB -0.228 62.997 63.200 0.041 0.000 0.774 245 S HN 0.279 nan 8.310 nan 0.000 0.510 246 L N 2.491 123.751 121.223 0.061 0.000 2.500 246 L HA 0.088 4.428 4.340 -0.000 0.000 0.272 246 L C 1.622 178.534 176.870 0.069 0.000 1.149 246 L CA 0.070 54.958 54.840 0.080 0.000 0.897 246 L CB 0.759 42.877 42.059 0.098 0.000 1.178 246 L HN 0.429 nan 8.230 nan 0.000 0.473 247 Q N 4.051 123.903 119.800 0.087 0.000 2.172 247 Q HA -0.090 4.249 4.340 -0.000 0.000 0.200 247 Q C -0.683 175.263 176.000 -0.091 0.000 0.964 247 Q CA 1.261 57.072 55.803 0.014 0.000 0.855 247 Q CB 0.240 29.017 28.738 0.064 0.000 0.918 247 Q HN 0.614 nan 8.270 nan 0.000 0.444 248 Y N 0.326 120.639 120.300 0.022 0.000 2.350 248 Y HA 0.397 4.947 4.550 -0.000 0.000 0.338 248 Y C -2.097 173.808 175.900 0.009 0.000 0.961 248 Y CA -2.926 55.182 58.100 0.014 0.000 1.100 248 Y CB 1.481 39.942 38.460 0.002 0.000 1.179 248 Y HN 0.103 nan 8.280 nan 0.000 0.454 249 P HA 0.080 nan 4.420 nan 0.000 0.269 249 P C -0.908 176.393 177.300 0.001 0.000 1.215 249 P CA -0.501 62.601 63.100 0.003 0.000 0.780 249 P CB 0.607 32.236 31.700 -0.118 0.000 0.898 250 K N -0.172 120.213 120.400 -0.026 0.000 2.106 250 K HA 0.617 4.937 4.320 -0.000 0.000 0.246 250 K C -0.774 175.775 176.600 -0.085 0.000 0.987 250 K CA -0.695 55.581 56.287 -0.019 0.000 0.904 250 K CB 0.609 33.123 32.500 0.023 0.000 1.071 250 K HN 0.176 nan 8.250 nan 0.000 0.453 251 T N 1.384 115.875 114.554 -0.104 0.000 2.770 251 T HA 0.243 4.593 4.350 -0.000 0.000 0.283 251 T C -0.459 174.106 174.700 -0.224 0.000 0.988 251 T CA -0.713 61.286 62.100 -0.167 0.000 0.957 251 T CB 1.218 70.003 68.868 -0.138 0.000 0.930 251 T HN 0.357 nan 8.240 nan 0.000 0.443 252 V N 5.213 124.890 119.914 -0.395 0.000 2.583 252 V HA 0.444 4.564 4.120 -0.000 0.000 0.287 252 V C 0.390 176.208 176.094 -0.460 0.000 1.051 252 V CA -0.419 61.598 62.300 -0.472 0.000 1.010 252 V CB 0.895 32.238 31.823 -0.801 0.000 0.988 252 V HN 0.714 nan 8.190 nan 0.000 0.478 253 R N 5.177 125.530 120.500 -0.245 0.000 2.561 253 R HA 0.750 5.090 4.340 -0.000 0.000 0.297 253 R C -1.415 174.847 176.300 -0.062 0.000 0.969 253 R CA -0.610 55.388 56.100 -0.169 0.000 0.879 253 R CB 2.167 32.405 30.300 -0.103 0.000 1.178 253 R HN 0.587 nan 8.270 nan 0.000 0.445 254 I N 2.876 123.405 120.570 -0.068 0.000 2.569 254 I HA 0.330 4.500 4.170 -0.000 0.000 0.290 254 I C -2.501 173.635 176.117 0.031 0.000 1.088 254 I CA -2.654 58.661 61.300 0.026 0.000 1.047 254 I CB 2.901 40.840 38.000 -0.101 0.000 1.237 254 I HN 0.241 nan 8.210 nan 0.000 0.421 255 P HA 0.101 nan 4.420 nan 0.000 0.275 255 P C -1.501 175.875 177.300 0.127 0.000 1.276 255 P CA 0.168 63.345 63.100 0.129 0.000 0.782 255 P CB -0.046 31.769 31.700 0.192 0.000 0.851 256 Y N 6.697 126.950 120.300 -0.078 0.000 2.317 256 Y HA 0.393 4.943 4.550 -0.001 0.000 0.325 256 Y C -2.730 173.128 175.900 -0.070 0.000 1.066 256 Y CA -3.021 54.989 58.100 -0.151 0.000 1.203 256 Y CB 1.750 39.998 38.460 -0.353 0.000 1.127 256 Y HN 0.279 nan 8.280 nan 0.000 0.451 257 P HA 0.233 nan 4.420 nan 0.000 0.287 257 P C -0.960 176.372 177.300 0.053 0.000 1.307 257 P CA -0.135 62.988 63.100 0.039 0.000 0.777 257 P CB 1.417 33.123 31.700 0.009 0.000 0.883 258 K N 2.049 122.568 120.400 0.198 0.000 2.098 258 K HA 0.529 4.848 4.320 -0.000 0.000 0.244 258 K C 0.477 177.173 176.600 0.160 0.000 1.014 258 K CA -0.822 55.609 56.287 0.241 0.000 0.917 258 K CB 0.648 33.313 32.500 0.275 0.000 1.072 258 K HN 0.446 nan 8.250 nan 0.000 0.477 259 A N 0.710 123.651 122.820 0.202 0.000 2.573 259 A HA 0.231 4.551 4.320 -0.000 0.000 0.250 259 A C 1.173 178.801 177.584 0.074 0.000 1.049 259 A CA 1.125 53.269 52.037 0.179 0.000 0.767 259 A CB -1.362 17.817 19.000 0.298 0.000 0.965 259 A HN 0.913 nan 8.150 nan 0.000 0.514 260 G N 0.951 109.785 108.800 0.056 0.000 2.184 260 G HA2 0.107 4.066 3.960 -0.000 0.000 0.264 260 G HA3 0.107 4.066 3.960 -0.000 0.000 0.264 260 G C 0.639 175.552 174.900 0.021 0.000 0.975 260 G CA 0.788 45.896 45.100 0.013 0.000 0.642 260 G HN 2.205 nan 8.290 nan 0.000 0.536 261 A N -0.321 122.526 122.820 0.045 0.000 2.259 261 A HA 0.714 5.034 4.320 -0.000 0.000 0.278 261 A C 0.522 178.129 177.584 0.039 0.000 1.107 261 A CA 0.513 52.577 52.037 0.045 0.000 0.828 261 A CB 0.395 19.435 19.000 0.068 0.000 1.111 261 A HN 0.771 nan 8.150 nan 0.000 0.498 262 E N 0.665 120.887 120.200 0.037 0.000 2.415 262 E HA 0.104 4.454 4.350 -0.000 0.000 0.263 262 E C -0.340 176.289 176.600 0.049 0.000 0.995 262 E CA 0.331 56.751 56.400 0.034 0.000 0.915 262 E CB 0.122 29.843 29.700 0.035 0.000 0.951 262 E HN 0.547 nan 8.360 nan 0.000 0.449 263 N N 4.176 122.904 118.700 0.047 0.000 2.485 263 N HA 0.453 5.193 4.740 -0.000 0.000 0.280 263 N C -2.482 173.092 175.510 0.107 0.000 1.205 263 N CA -1.750 51.349 53.050 0.081 0.000 0.959 263 N CB 0.780 39.317 38.487 0.083 0.000 1.206 263 N HN 0.399 nan 8.380 nan 0.000 0.545 264 P HA 0.127 nan 4.420 nan 0.000 0.274 264 P C -0.547 176.885 177.300 0.220 0.000 1.237 264 P CA -0.124 63.106 63.100 0.217 0.000 0.793 264 P CB 0.471 32.343 31.700 0.287 0.000 0.977 265 T N -1.696 112.965 114.554 0.178 0.000 2.952 265 T HA 0.605 4.955 4.350 -0.000 0.000 0.286 265 T C -0.278 174.514 174.700 0.154 0.000 1.024 265 T CA -0.861 61.302 62.100 0.105 0.000 1.029 265 T CB 1.543 70.438 68.868 0.046 0.000 1.094 265 T HN 0.353 nan 8.240 nan 0.000 0.515 266 V N 0.223 120.202 119.914 0.109 0.000 3.007 266 V HA 0.752 4.872 4.120 -0.000 0.000 0.311 266 V C -1.622 174.501 176.094 0.047 0.000 1.120 266 V CA -0.896 61.426 62.300 0.037 0.000 0.980 266 V CB 2.122 34.004 31.823 0.099 0.000 1.033 266 V HN 1.031 nan 8.190 nan 0.000 0.429 267 K N 4.346 124.699 120.400 -0.077 0.000 2.426 267 K HA 0.569 4.889 4.320 -0.000 0.000 0.251 267 K C -1.928 174.500 176.600 -0.288 0.000 0.941 267 K CA -0.464 55.709 56.287 -0.190 0.000 0.808 267 K CB 2.825 35.173 32.500 -0.253 0.000 1.265 267 K HN 0.575 nan 8.250 nan 0.000 0.432 268 F N 2.663 122.259 119.950 -0.589 0.000 2.529 268 F HA 0.551 5.078 4.527 -0.000 0.000 0.320 268 F C -1.549 173.768 175.800 -0.805 0.000 1.118 268 F CA -0.669 57.021 58.000 -0.517 0.000 0.915 268 F CB 0.836 39.693 39.000 -0.238 0.000 1.161 268 F HN 0.381 nan 8.300 nan 0.000 0.445 269 F N 4.386 123.655 119.950 -1.135 0.000 2.577 269 F HA 0.720 5.246 4.527 -0.000 0.000 0.318 269 F C -0.911 174.410 175.800 -0.799 0.000 1.065 269 F CA -1.280 56.221 58.000 -0.832 0.000 0.929 269 F CB 2.048 40.507 39.000 -0.903 0.000 1.237 269 F HN 0.093 nan 8.300 nan 0.000 0.468 270 V N 3.017 122.851 119.914 -0.134 0.000 2.444 270 V HA 0.487 4.607 4.120 -0.000 0.000 0.294 270 V C -0.662 175.583 176.094 0.251 0.000 1.022 270 V CA -0.815 61.454 62.300 -0.051 0.000 0.850 270 V CB 1.589 33.184 31.823 -0.380 0.000 0.992 270 V HN 0.536 nan 8.190 nan 0.000 0.426 271 V N 3.369 123.464 119.914 0.302 0.000 2.427 271 V HA 0.365 4.485 4.120 -0.000 0.000 0.286 271 V C -0.055 176.306 176.094 0.446 0.000 1.034 271 V CA -0.472 62.023 62.300 0.325 0.000 0.893 271 V CB 1.877 33.816 31.823 0.194 0.000 0.982 271 V HN 0.891 nan 8.190 nan 0.000 0.452 272 D N 3.422 124.087 120.400 0.442 0.000 2.380 272 D HA 0.093 4.733 4.640 -0.000 0.000 0.230 272 D C 1.337 177.721 176.300 0.139 0.000 1.154 272 D CA 0.007 54.210 54.000 0.338 0.000 0.859 272 D CB 1.701 42.724 40.800 0.372 0.000 1.045 272 D HN 0.740 nan 8.370 nan 0.000 0.495 273 T N 1.424 116.019 114.554 0.068 0.000 3.113 273 T HA -0.028 4.322 4.350 -0.000 0.000 0.263 273 T C 1.642 176.369 174.700 0.047 0.000 1.143 273 T CA 0.403 62.550 62.100 0.078 0.000 1.090 273 T CB -0.011 68.955 68.868 0.163 0.000 0.922 273 T HN 0.311 nan 8.240 nan 0.000 0.521 274 R N 1.283 121.779 120.500 -0.008 0.000 2.152 274 R HA -0.037 4.303 4.340 -0.000 0.000 0.232 274 R C 2.437 178.753 176.300 0.028 0.000 1.117 274 R CA 1.747 57.842 56.100 -0.009 0.000 0.981 274 R CB -0.469 29.803 30.300 -0.048 0.000 0.870 274 R HN 0.682 nan 8.270 nan 0.000 0.451 275 T N -1.987 112.597 114.554 0.051 0.000 3.122 275 T HA 0.232 4.581 4.350 -0.000 0.000 0.250 275 T C 0.637 175.373 174.700 0.059 0.000 1.067 275 T CA -0.243 61.892 62.100 0.059 0.000 0.966 275 T CB 0.018 68.931 68.868 0.077 0.000 1.002 275 T HN -0.033 nan 8.240 nan 0.000 0.542 276 L N 2.902 124.160 121.223 0.059 0.000 2.534 276 L HA 0.366 4.706 4.340 -0.000 0.000 0.271 276 L C -0.156 176.746 176.870 0.053 0.000 1.178 276 L CA 0.020 54.894 54.840 0.056 0.000 0.907 276 L CB 0.169 42.261 42.059 0.054 0.000 1.164 276 L HN 0.304 nan 8.230 nan 0.000 0.482 277 S N 2.970 118.702 115.700 0.053 0.000 2.552 277 S HA 0.322 4.791 4.470 -0.000 0.000 0.272 277 S C -1.975 172.658 174.600 0.055 0.000 1.150 277 S CA -0.819 57.411 58.200 0.051 0.000 0.849 277 S CB 2.001 65.228 63.200 0.045 0.000 1.113 277 S HN 0.371 nan 8.310 nan 0.000 0.458 278 P HA -0.136 nan 4.420 nan 0.000 0.217 278 P C 0.265 177.601 177.300 0.060 0.000 1.151 278 P CA 1.463 64.600 63.100 0.062 0.000 0.849 278 P CB -0.031 31.702 31.700 0.055 0.000 0.787 279 N N -0.739 117.989 118.700 0.047 0.000 2.273 279 N HA 0.269 5.009 4.740 -0.000 0.000 0.231 279 N C 0.256 175.787 175.510 0.036 0.000 1.134 279 N CA -0.016 53.057 53.050 0.039 0.000 0.856 279 N CB 0.566 39.072 38.487 0.031 0.000 1.068 279 N HN 0.140 nan 8.380 nan 0.000 0.510 280 A N 0.215 123.062 122.820 0.045 0.000 2.330 280 A HA 0.672 4.991 4.320 -0.000 0.000 0.329 280 A C 0.580 178.193 177.584 0.049 0.000 1.135 280 A CA -0.524 51.539 52.037 0.044 0.000 0.817 280 A CB 0.910 19.940 19.000 0.050 0.000 1.269 280 A HN 0.181 nan 8.150 nan 0.000 0.469 281 S N -0.106 115.621 115.700 0.045 0.000 2.634 281 S HA 0.530 5.000 4.470 -0.000 0.000 0.261 281 S C -0.017 174.623 174.600 0.067 0.000 1.271 281 S CA -0.544 57.684 58.200 0.046 0.000 0.985 281 S CB 0.722 63.943 63.200 0.034 0.000 0.968 281 S HN 0.783 nan 8.310 nan 0.000 0.568 282 V N 1.585 121.543 119.914 0.073 0.000 2.432 282 V HA 0.303 4.423 4.120 -0.000 0.000 0.275 282 V C 0.300 176.457 176.094 0.105 0.000 1.043 282 V CA -0.452 61.897 62.300 0.082 0.000 0.925 282 V CB 1.035 32.899 31.823 0.068 0.000 0.985 282 V HN 1.001 nan 8.190 nan 0.000 0.466 283 T N 4.612 119.248 114.554 0.136 0.000 2.729 283 T HA 0.449 4.798 4.350 -0.000 0.000 0.296 283 T C 0.011 174.857 174.700 0.243 0.000 0.928 283 T CA -0.026 62.187 62.100 0.188 0.000 1.045 283 T CB 0.542 69.533 68.868 0.205 0.000 0.902 283 T HN 0.701 nan 8.240 nan 0.000 0.500 284 S N 2.252 118.107 115.700 0.258 0.000 2.546 284 S HA 0.587 5.057 4.470 -0.000 0.000 0.274 284 S C -1.765 173.066 174.600 0.384 0.000 1.121 284 S CA -0.752 57.628 58.200 0.301 0.000 0.887 284 S CB 1.632 64.942 63.200 0.184 0.000 1.094 284 S HN 0.672 nan 8.310 nan 0.000 0.474 285 Y N 2.152 122.637 120.300 0.309 0.000 2.373 285 Y HA 0.459 5.009 4.550 -0.000 0.000 0.336 285 Y C -0.447 175.589 175.900 0.226 0.000 0.979 285 Y CA -0.469 57.811 58.100 0.300 0.000 1.080 285 Y CB 1.315 40.031 38.460 0.428 0.000 1.190 285 Y HN 0.654 nan 8.280 nan 0.000 0.446 286 Q N 6.523 126.053 119.800 -0.450 0.000 2.296 286 Q HA 0.483 4.823 4.340 -0.000 0.000 0.257 286 Q C -1.307 174.430 176.000 -0.439 0.000 0.942 286 Q CA -0.420 55.109 55.803 -0.458 0.000 0.939 286 Q CB 0.707 29.171 28.738 -0.456 0.000 1.198 286 Q HN 0.770 nan 8.270 nan 0.000 0.429 287 I N 4.531 125.023 120.570 -0.131 0.000 2.321 287 I HA 0.270 4.439 4.170 -0.000 0.000 0.291 287 I C -0.409 175.704 176.117 -0.007 0.000 0.998 287 I CA -0.791 60.551 61.300 0.070 0.000 1.227 287 I CB 1.531 39.655 38.000 0.208 0.000 1.368 287 I HN 0.382 nan 8.210 nan 0.000 0.466 288 V N 8.157 128.015 119.914 -0.093 0.000 2.713 288 V HA 0.407 4.527 4.120 -0.000 0.000 0.307 288 V C -1.820 174.024 176.094 -0.416 0.000 1.052 288 V CA -1.485 60.667 62.300 -0.246 0.000 0.967 288 V CB 1.593 33.279 31.823 -0.229 0.000 1.019 288 V HN 0.626 nan 8.190 nan 0.000 0.459 289 P HA 0.294 nan 4.420 nan 0.000 0.274 289 P C -2.813 174.089 177.300 -0.663 0.000 1.256 289 P CA -1.578 60.739 63.100 -1.306 0.000 0.795 289 P CB -0.212 30.116 31.700 -2.287 0.000 1.038 290 P HA 0.024 nan 4.420 nan 0.000 0.269 290 P C 0.810 177.945 177.300 -0.275 0.000 1.215 290 P CA 0.164 63.106 63.100 -0.264 0.000 0.780 290 P CB 0.089 31.702 31.700 -0.146 0.000 0.898 291 A N 2.196 124.902 122.820 -0.189 0.000 1.948 291 A HA -0.218 4.102 4.320 -0.000 0.000 0.220 291 A C 2.041 179.516 177.584 -0.182 0.000 1.177 291 A CA 2.415 54.347 52.037 -0.175 0.000 0.636 291 A CB -1.790 17.138 19.000 -0.120 0.000 0.815 291 A HN 0.625 nan 8.150 nan 0.000 0.449 292 S N -1.346 114.262 115.700 -0.153 0.000 2.507 292 S HA 0.025 4.494 4.470 -0.000 0.000 0.235 292 S C 1.342 175.775 174.600 -0.279 0.000 0.988 292 S CA 1.227 59.312 58.200 -0.192 0.000 0.944 292 S CB -0.048 63.096 63.200 -0.095 0.000 0.762 292 S HN 0.257 nan 8.310 nan 0.000 0.526 293 V N 0.328 120.086 119.914 -0.260 0.000 3.151 293 V HA 0.304 4.424 4.120 -0.000 0.000 0.241 293 V C 1.968 177.823 176.094 -0.398 0.000 1.173 293 V CA 0.226 62.349 62.300 -0.296 0.000 1.154 293 V CB -0.107 31.546 31.823 -0.282 0.000 0.898 293 V HN 0.425 nan 8.190 nan 0.000 0.473 294 L N 0.019 120.969 121.223 -0.454 0.000 2.353 294 L HA -0.139 4.201 4.340 -0.000 0.000 0.220 294 L C 2.173 178.935 176.870 -0.181 0.000 1.133 294 L CA 1.407 56.012 54.840 -0.392 0.000 0.798 294 L CB -0.139 41.716 42.059 -0.340 0.000 0.922 294 L HN 0.335 nan 8.230 nan 0.000 0.445 295 I N -0.680 119.788 120.570 -0.169 0.000 2.264 295 I HA -0.170 4.000 4.170 -0.000 0.000 0.248 295 I C 1.375 177.447 176.117 -0.075 0.000 1.111 295 I CA 1.209 62.439 61.300 -0.118 0.000 1.382 295 I CB -0.475 37.444 38.000 -0.135 0.000 1.060 295 I HN 0.330 nan 8.210 nan 0.000 0.418 296 G N -0.984 107.785 108.800 -0.051 0.000 2.975 296 G HA2 0.289 4.249 3.960 -0.000 0.000 0.291 296 G HA3 0.289 4.249 3.960 -0.000 0.000 0.291 296 G C -1.489 173.430 174.900 0.032 0.000 1.334 296 G CA -0.483 44.600 45.100 -0.027 0.000 0.843 296 G HN -0.114 nan 8.290 nan 0.000 0.548 297 D N 1.103 121.472 120.400 -0.052 0.000 2.472 297 D HA 0.362 5.002 4.640 -0.000 0.000 0.237 297 D C 0.434 176.633 176.300 -0.169 0.000 1.141 297 D CA 0.791 54.693 54.000 -0.163 0.000 0.875 297 D CB 0.377 41.060 40.800 -0.195 0.000 1.192 297 D HN 0.529 nan 8.370 nan 0.000 0.450 298 H N -0.841 118.061 119.070 -0.280 0.000 2.933 298 H HA 0.472 5.028 4.556 -0.001 0.000 0.310 298 H C -1.320 173.826 175.328 -0.304 0.000 1.351 298 H CA -0.817 55.068 56.048 -0.272 0.000 1.137 298 H CB 0.428 30.158 29.762 -0.053 0.000 1.853 298 H HN 0.304 nan 8.280 nan 0.000 0.539 299 Y N -0.039 120.521 120.300 0.433 0.000 2.553 299 Y HA 0.404 4.954 4.550 -0.000 0.000 0.347 299 Y C -0.468 175.808 175.900 0.628 0.000 1.019 299 Y CA -1.135 57.240 58.100 0.457 0.000 1.032 299 Y CB 2.021 40.578 38.460 0.162 0.000 1.284 299 Y HN 0.510 nan 8.280 nan 0.000 0.466 300 L N 2.924 124.625 121.223 0.797 0.000 2.275 300 L HA 0.509 4.848 4.340 -0.000 0.000 0.288 300 L C 0.297 177.415 176.870 0.413 0.000 1.046 300 L CA -0.314 54.653 54.840 0.211 0.000 0.805 300 L CB 0.661 42.704 42.059 -0.027 0.000 1.193 300 L HN 0.957 nan 8.230 nan 0.000 0.426 301 C N 1.655 121.035 119.300 0.133 0.000 3.642 301 C HA 0.862 5.322 4.460 -0.000 0.000 0.305 301 C C 0.565 175.551 174.990 -0.008 0.000 1.492 301 C CA 0.033 59.194 59.018 0.238 0.000 1.809 301 C CB -0.711 27.138 27.740 0.182 0.000 2.639 301 C HN 0.977 nan 8.230 nan 0.000 0.672 302 G N 0.219 108.852 108.800 -0.279 0.000 2.755 302 G HA2 0.579 4.539 3.960 -0.000 0.000 0.297 302 G HA3 0.579 4.539 3.960 -0.000 0.000 0.297 302 G C -1.892 172.597 174.900 -0.685 0.000 1.441 302 G CA -0.195 44.654 45.100 -0.418 0.000 0.964 302 G HN 0.375 nan 8.290 nan 0.000 0.540 303 V N 1.054 120.493 119.914 -0.791 0.000 2.623 303 V HA 0.760 4.879 4.120 -0.000 0.000 0.304 303 V C -0.446 175.214 176.094 -0.723 0.000 1.054 303 V CA -0.632 61.041 62.300 -1.046 0.000 0.882 303 V CB 2.122 32.819 31.823 -1.877 0.000 1.002 303 V HN 0.889 nan 8.190 nan 0.000 0.424 304 T N 3.290 117.487 114.554 -0.595 0.000 2.949 304 T HA 0.364 4.713 4.350 -0.000 0.000 0.300 304 T C -0.890 173.592 174.700 -0.363 0.000 0.988 304 T CA -0.405 61.494 62.100 -0.335 0.000 0.993 304 T CB 0.856 69.617 68.868 -0.178 0.000 0.984 304 T HN 0.538 nan 8.240 nan 0.000 0.442 305 W N 2.785 123.998 121.300 -0.145 0.000 2.266 305 W HA 0.344 5.003 4.660 -0.001 0.000 0.317 305 W C 1.095 177.525 176.519 -0.148 0.000 1.310 305 W CA -0.337 56.944 57.345 -0.106 0.000 1.207 305 W CB 0.692 30.176 29.460 0.040 0.000 1.199 305 W HN 0.475 nan 8.180 nan 0.000 0.544 306 V N 1.863 121.783 119.914 0.009 0.000 2.490 306 V HA 0.082 4.202 4.120 -0.000 0.000 0.238 306 V C 0.916 177.064 176.094 0.089 0.000 1.056 306 V CA 1.545 63.743 62.300 -0.169 0.000 1.075 306 V CB -0.284 31.199 31.823 -0.567 0.000 0.746 306 V HN 0.650 nan 8.190 nan 0.000 0.479 307 T N -4.187 110.486 114.554 0.199 0.000 2.778 307 T HA 0.343 4.693 4.350 -0.000 0.000 0.293 307 T C 0.398 175.300 174.700 0.337 0.000 1.144 307 T CA -0.502 61.730 62.100 0.220 0.000 1.010 307 T CB 1.944 70.915 68.868 0.171 0.000 1.325 307 T HN -0.041 nan 8.240 nan 0.000 0.515 308 E N 0.428 120.778 120.200 0.249 0.000 2.333 308 E HA -0.062 4.288 4.350 -0.000 0.000 0.198 308 E C 0.836 177.729 176.600 0.489 0.000 1.007 308 E CA 1.111 57.681 56.400 0.282 0.000 0.845 308 E CB 0.077 29.886 29.700 0.182 0.000 0.766 308 E HN 0.762 nan 8.360 nan 0.000 0.507 309 E N -0.130 120.312 120.200 0.403 0.000 2.693 309 E HA 0.158 4.508 4.350 -0.000 0.000 0.214 309 E C 0.177 177.005 176.600 0.380 0.000 0.990 309 E CA -0.174 56.424 56.400 0.329 0.000 1.047 309 E CB 0.971 30.791 29.700 0.199 0.000 1.039 309 E HN -0.108 nan 8.360 nan 0.000 0.475 310 R N 1.487 122.273 120.500 0.476 0.000 2.522 310 R HA 0.513 4.853 4.340 -0.000 0.000 0.283 310 R C -1.913 174.435 176.300 0.080 0.000 1.074 310 R CA -0.459 55.806 56.100 0.275 0.000 0.925 310 R CB 1.394 31.750 30.300 0.094 0.000 1.205 310 R HN 0.083 nan 8.270 nan 0.000 0.436 311 I N 2.220 122.689 120.570 -0.168 0.000 2.647 311 I HA 0.416 4.586 4.170 -0.000 0.000 0.295 311 I C -1.318 174.480 176.117 -0.532 0.000 1.078 311 I CA -0.502 60.424 61.300 -0.623 0.000 1.048 311 I CB 2.430 39.660 38.000 -1.282 0.000 1.239 311 I HN 0.679 nan 8.210 nan 0.000 0.421 312 S N 7.230 122.565 115.700 -0.609 0.000 2.498 312 S HA 0.698 5.167 4.470 -0.000 0.000 0.317 312 S C -1.162 173.096 174.600 -0.570 0.000 1.090 312 S CA -0.552 57.364 58.200 -0.473 0.000 1.089 312 S CB 0.701 63.685 63.200 -0.360 0.000 0.997 312 S HN 0.415 nan 8.310 nan 0.000 0.470 313 L N 4.264 125.160 121.223 -0.545 0.000 2.329 313 L HA 0.604 4.944 4.340 -0.000 0.000 0.279 313 L C 0.085 176.612 176.870 -0.572 0.000 1.014 313 L CA -0.153 54.231 54.840 -0.761 0.000 0.814 313 L CB 1.654 43.181 42.059 -0.886 0.000 1.257 313 L HN 0.714 nan 8.230 nan 0.000 0.424 314 Q N 1.758 121.169 119.800 -0.649 0.000 2.333 314 Q HA 0.510 4.849 4.340 -0.000 0.000 0.268 314 Q C -1.866 173.897 176.000 -0.394 0.000 1.007 314 Q CA -0.487 55.096 55.803 -0.367 0.000 0.810 314 Q CB 1.212 29.792 28.738 -0.263 0.000 1.264 314 Q HN 0.575 nan 8.270 nan 0.000 0.452 315 W N 4.797 126.066 121.300 -0.050 0.000 2.706 315 W HA 0.666 5.326 4.660 -0.001 0.000 0.346 315 W C -0.421 176.158 176.519 0.101 0.000 1.071 315 W CA -0.764 56.603 57.345 0.038 0.000 1.206 315 W CB 1.270 30.717 29.460 -0.022 0.000 1.413 315 W HN 0.503 nan 8.180 nan 0.000 0.542 316 I N -0.779 120.055 120.570 0.440 0.000 2.686 316 I HA 0.618 4.787 4.170 -0.000 0.000 0.295 316 I C -0.252 176.066 176.117 0.336 0.000 1.114 316 I CA -1.620 59.894 61.300 0.357 0.000 1.038 316 I CB 1.913 40.101 38.000 0.312 0.000 1.238 316 I HN 0.348 nan 8.210 nan 0.000 0.420 317 R N 2.573 123.234 120.500 0.269 0.000 2.679 317 R HA 0.253 4.592 4.340 -0.000 0.000 0.269 317 R C 1.142 177.487 176.300 0.076 0.000 1.076 317 R CA -0.400 55.778 56.100 0.130 0.000 1.160 317 R CB 0.790 31.127 30.300 0.062 0.000 1.054 317 R HN 0.685 nan 8.270 nan 0.000 0.507 318 R N 1.499 121.949 120.500 -0.082 0.000 2.127 318 R HA -0.189 4.150 4.340 -0.000 0.000 0.238 318 R C 1.707 178.045 176.300 0.064 0.000 1.134 318 R CA 1.914 57.939 56.100 -0.125 0.000 0.975 318 R CB -0.240 29.936 30.300 -0.207 0.000 0.865 318 R HN 0.755 nan 8.270 nan 0.000 0.447 319 A N 0.215 123.060 122.820 0.042 0.000 2.121 319 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 319 A C 0.801 178.427 177.584 0.069 0.000 1.154 319 A CA 1.220 53.285 52.037 0.047 0.000 0.679 319 A CB -0.107 18.912 19.000 0.032 0.000 0.795 319 A HN 0.614 nan 8.150 nan 0.000 0.458 320 Q N -1.914 117.959 119.800 0.123 0.000 2.494 320 Q HA -0.216 4.123 4.340 -0.000 0.000 0.266 320 Q C -0.159 175.923 176.000 0.137 0.000 1.053 320 Q CA 0.704 56.589 55.803 0.138 0.000 1.029 320 Q CB -1.625 27.155 28.738 0.069 0.000 1.423 320 Q HN 0.987 nan 8.270 nan 0.000 0.516 321 N N -0.696 118.087 118.700 0.138 0.000 2.238 321 N HA 0.129 4.868 4.740 -0.000 0.000 0.235 321 N C -0.989 174.615 175.510 0.157 0.000 1.209 321 N CA -0.089 53.027 53.050 0.111 0.000 0.879 321 N CB 0.461 38.989 38.487 0.069 0.000 1.136 321 N HN 0.315 nan 8.380 nan 0.000 0.517 322 Y N 0.161 120.490 120.300 0.047 0.000 2.362 322 Y HA 0.605 5.154 4.550 -0.000 0.000 0.326 322 Y C -1.488 174.452 175.900 0.067 0.000 1.083 322 Y CA -0.990 57.136 58.100 0.043 0.000 1.073 322 Y CB 1.604 40.080 38.460 0.027 0.000 1.211 322 Y HN 0.018 nan 8.280 nan 0.000 0.433 323 S N 6.720 122.316 115.700 -0.173 0.000 2.570 323 S HA 0.820 5.290 4.470 -0.000 0.000 0.286 323 S C -1.810 172.699 174.600 -0.152 0.000 1.099 323 S CA -0.624 57.563 58.200 -0.022 0.000 0.913 323 S CB 1.156 64.357 63.200 0.003 0.000 1.085 323 S HN 0.756 nan 8.310 nan 0.000 0.480 324 I N 3.673 124.260 120.570 0.028 0.000 2.722 324 I HA 0.564 4.733 4.170 -0.000 0.000 0.295 324 I C -1.698 174.453 176.117 0.056 0.000 1.161 324 I CA -0.966 60.344 61.300 0.017 0.000 1.032 324 I CB 1.554 39.608 38.000 0.090 0.000 1.244 324 I HN 0.687 nan 8.210 nan 0.000 0.421 325 I N 5.801 126.373 120.570 0.003 0.000 2.377 325 I HA 0.335 4.504 4.170 -0.000 0.000 0.293 325 I C -1.132 174.992 176.117 0.012 0.000 0.987 325 I CA -0.288 60.987 61.300 -0.041 0.000 1.185 325 I CB 1.544 39.464 38.000 -0.134 0.000 1.341 325 I HN 0.479 nan 8.210 nan 0.000 0.455 326 D N 7.435 127.834 120.400 -0.002 0.000 2.481 326 D HA 0.444 5.084 4.640 -0.000 0.000 0.246 326 D C -0.800 175.471 176.300 -0.048 0.000 1.109 326 D CA -0.288 53.717 54.000 0.009 0.000 0.845 326 D CB 1.209 42.052 40.800 0.071 0.000 1.160 326 D HN 0.259 nan 8.370 nan 0.000 0.534 327 I N 4.115 124.679 120.570 -0.011 0.000 2.306 327 I HA 0.278 4.448 4.170 -0.000 0.000 0.288 327 I C -0.265 175.849 176.117 -0.005 0.000 1.036 327 I CA -0.705 60.574 61.300 -0.034 0.000 1.221 327 I CB 0.865 38.899 38.000 0.057 0.000 1.385 327 I HN 0.284 nan 8.210 nan 0.000 0.472 328 C N 4.425 123.715 119.300 -0.016 0.000 2.330 328 C HA 0.419 4.879 4.460 -0.000 0.000 0.344 328 C C -0.009 175.116 174.990 0.226 0.000 1.273 328 C CA -0.710 58.370 59.018 0.104 0.000 1.879 328 C CB 0.397 28.221 27.740 0.141 0.000 2.376 328 C HN 0.575 nan 8.230 nan 0.000 0.534 329 D N 0.799 121.295 120.400 0.160 0.000 2.217 329 D HA 0.234 4.873 4.640 -0.000 0.000 0.243 329 D C -0.533 175.683 176.300 -0.141 0.000 1.054 329 D CA -0.215 53.832 54.000 0.079 0.000 0.838 329 D CB 0.945 41.755 40.800 0.017 0.000 1.162 329 D HN 0.592 nan 8.370 nan 0.000 0.472 330 Y N 1.748 121.673 120.300 -0.625 0.000 2.465 330 Y HA 0.135 4.685 4.550 -0.001 0.000 0.331 330 Y C 0.010 175.577 175.900 -0.555 0.000 1.102 330 Y CA -0.192 57.222 58.100 -1.143 0.000 1.358 330 Y CB 0.598 38.186 38.460 -1.453 0.000 1.213 330 Y HN 0.165 nan 8.280 nan 0.000 0.525 331 D N 5.210 125.039 120.400 -0.952 0.000 2.359 331 D HA 0.103 4.743 4.640 -0.000 0.000 0.230 331 D C 0.452 176.205 176.300 -0.913 0.000 1.118 331 D CA -0.054 53.547 54.000 -0.665 0.000 0.844 331 D CB 0.863 41.379 40.800 -0.474 0.000 1.059 331 D HN 0.787 nan 8.370 nan 0.000 0.493 332 E N 1.319 121.180 120.200 -0.565 0.000 2.204 332 E HA -0.152 4.198 4.350 -0.000 0.000 0.195 332 E C 1.567 178.014 176.600 -0.255 0.000 0.990 332 E CA 0.985 57.161 56.400 -0.373 0.000 0.821 332 E CB 0.186 29.848 29.700 -0.063 0.000 0.750 332 E HN 0.550 nan 8.360 nan 0.000 0.477 333 S N -0.331 115.231 115.700 -0.230 0.000 2.496 333 S HA -0.049 4.421 4.470 -0.000 0.000 0.224 333 S C 1.869 176.383 174.600 -0.142 0.000 0.996 333 S CA 1.090 59.206 58.200 -0.140 0.000 0.927 333 S CB 0.122 63.260 63.200 -0.102 0.000 0.774 333 S HN 0.279 nan 8.310 nan 0.000 0.524 334 T N -4.487 109.931 114.554 -0.228 0.000 3.016 334 T HA 0.527 4.876 4.350 -0.000 0.000 0.271 334 T C 1.517 176.100 174.700 -0.195 0.000 0.968 334 T CA 0.659 62.656 62.100 -0.172 0.000 0.891 334 T CB 0.076 68.847 68.868 -0.162 0.000 1.149 334 T HN 1.149 nan 8.240 nan 0.000 0.524 335 G N 2.139 110.705 108.800 -0.390 0.000 2.162 335 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 335 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 335 G C 0.171 174.858 174.900 -0.356 0.000 0.976 335 G CA 0.156 45.098 45.100 -0.263 0.000 0.655 335 G HN 0.724 nan 8.290 nan 0.000 0.533 336 R N -1.370 118.764 120.500 -0.609 0.000 2.560 336 R HA 0.502 4.842 4.340 -0.000 0.000 0.270 336 R C -0.640 175.101 176.300 -0.931 0.000 1.074 336 R CA -0.406 55.130 56.100 -0.940 0.000 1.140 336 R CB 0.582 30.492 30.300 -0.650 0.000 1.073 336 R HN 0.210 nan 8.270 nan 0.000 0.527 337 W N 2.225 123.023 121.300 -0.836 0.000 2.318 337 W HA 0.413 5.073 4.660 -0.001 0.000 0.315 337 W C -0.487 175.933 176.519 -0.165 0.000 1.033 337 W CA -0.302 56.883 57.345 -0.267 0.000 1.275 337 W CB 0.718 30.143 29.460 -0.059 0.000 1.250 337 W HN 0.265 nan 8.180 nan 0.000 0.421 338 I N 3.203 123.770 120.570 -0.005 0.000 2.353 338 I HA 0.264 4.434 4.170 -0.000 0.000 0.293 338 I C 0.669 176.815 176.117 0.048 0.000 0.992 338 I CA -0.457 60.847 61.300 0.006 0.000 1.268 338 I CB 1.441 39.401 38.000 -0.067 0.000 1.387 338 I HN 0.259 nan 8.210 nan 0.000 0.478 339 S N 4.435 120.163 115.700 0.047 0.000 2.654 339 S HA 0.639 5.109 4.470 -0.000 0.000 0.283 339 S C -0.519 174.084 174.600 0.005 0.000 1.180 339 S CA -0.378 57.840 58.200 0.029 0.000 1.021 339 S CB 1.494 64.708 63.200 0.023 0.000 1.018 339 S HN 0.632 nan 8.310 nan 0.000 0.532 340 S N 2.455 118.153 115.700 -0.004 0.000 2.614 340 S HA 0.355 4.824 4.470 -0.000 0.000 0.275 340 S C 0.582 175.164 174.600 -0.031 0.000 1.161 340 S CA -0.710 57.482 58.200 -0.014 0.000 0.969 340 S CB 1.133 64.330 63.200 -0.006 0.000 1.059 340 S HN 0.620 nan 8.310 nan 0.000 0.482 341 V N 4.540 124.432 119.914 -0.037 0.000 2.453 341 V HA -0.194 3.926 4.120 -0.000 0.000 0.252 341 V C 2.760 178.812 176.094 -0.071 0.000 1.068 341 V CA 2.581 64.850 62.300 -0.051 0.000 1.070 341 V CB -1.199 30.599 31.823 -0.041 0.000 0.664 341 V HN 0.940 nan 8.190 nan 0.000 0.461 342 A N -0.268 122.521 122.820 -0.051 0.000 2.015 342 A HA -0.140 4.180 4.320 -0.000 0.000 0.219 342 A C 2.182 179.722 177.584 -0.074 0.000 1.163 342 A CA 1.192 53.199 52.037 -0.050 0.000 0.646 342 A CB -0.332 18.658 19.000 -0.016 0.000 0.806 342 A HN 0.542 nan 8.150 nan 0.000 0.448 343 R N -0.308 120.157 120.500 -0.059 0.000 2.426 343 R HA 0.164 4.504 4.340 -0.000 0.000 0.263 343 R C -0.419 175.792 176.300 -0.148 0.000 0.961 343 R CA -0.043 56.042 56.100 -0.024 0.000 1.086 343 R CB 0.210 30.548 30.300 0.063 0.000 1.186 343 R HN 0.597 nan 8.270 nan 0.000 0.537 344 Q N 0.201 119.821 119.800 -0.300 0.000 2.256 344 Q HA 0.257 4.597 4.340 -0.000 0.000 0.257 344 Q C -1.077 174.596 176.000 -0.545 0.000 0.936 344 Q CA -0.397 55.241 55.803 -0.275 0.000 0.903 344 Q CB 1.742 30.403 28.738 -0.128 0.000 1.263 344 Q HN 0.231 nan 8.270 nan 0.000 0.440 345 H N 1.350 120.413 119.070 -0.011 0.000 2.727 345 H HA 0.397 4.953 4.556 -0.000 0.000 0.330 345 H C -0.811 174.470 175.328 -0.077 0.000 0.986 345 H CA -0.391 55.643 56.048 -0.023 0.000 1.251 345 H CB 0.948 30.681 29.762 -0.048 0.000 1.493 345 H HN 0.433 nan 8.280 nan 0.000 0.515 346 I N 2.143 122.707 120.570 -0.010 0.000 2.440 346 I HA 0.235 4.405 4.170 -0.000 0.000 0.294 346 I C 0.148 176.187 176.117 -0.130 0.000 0.995 346 I CA -0.162 61.046 61.300 -0.153 0.000 1.306 346 I CB 1.316 39.197 38.000 -0.198 0.000 1.407 346 I HN 0.589 nan 8.210 nan 0.000 0.501 347 E N 7.098 127.162 120.200 -0.227 0.000 2.246 347 E HA 0.627 4.977 4.350 -0.000 0.000 0.266 347 E C -1.409 175.074 176.600 -0.195 0.000 0.880 347 E CA -0.625 55.699 56.400 -0.127 0.000 0.762 347 E CB 2.056 31.724 29.700 -0.053 0.000 1.180 347 E HN 0.600 nan 8.360 nan 0.000 0.416 348 I N -0.167 120.335 120.570 -0.112 0.000 3.145 348 I HA 0.725 4.895 4.170 -0.000 0.000 0.313 348 I C -0.912 175.190 176.117 -0.025 0.000 1.122 348 I CA -0.892 60.367 61.300 -0.068 0.000 0.987 348 I CB 2.380 40.362 38.000 -0.031 0.000 1.236 348 I HN 0.336 nan 8.210 nan 0.000 0.453 349 S N 0.371 116.063 115.700 -0.013 0.000 2.614 349 S HA 0.448 4.917 4.470 -0.000 0.000 0.288 349 S C 0.296 174.874 174.600 -0.037 0.000 1.137 349 S CA 0.051 58.228 58.200 -0.038 0.000 0.992 349 S CB 1.386 64.530 63.200 -0.093 0.000 1.026 349 S HN 0.911 nan 8.310 nan 0.000 0.486 350 T N 0.120 114.655 114.554 -0.032 0.000 3.044 350 T HA 0.059 4.409 4.350 -0.000 0.000 0.250 350 T C 1.411 176.082 174.700 -0.049 0.000 1.081 350 T CA 0.900 62.984 62.100 -0.026 0.000 1.040 350 T CB -0.280 68.581 68.868 -0.011 0.000 0.962 350 T HN 0.660 nan 8.240 nan 0.000 0.506 351 T N -2.514 111.996 114.554 -0.073 0.000 3.001 351 T HA 0.636 4.986 4.350 -0.000 0.000 0.251 351 T C 1.100 175.619 174.700 -0.302 0.000 1.040 351 T CA 0.323 62.374 62.100 -0.082 0.000 0.985 351 T CB 0.548 69.442 68.868 0.044 0.000 1.011 351 T HN 0.600 nan 8.240 nan 0.000 0.509 352 G N 0.625 109.113 108.800 -0.520 0.000 2.704 352 G HA2 0.462 4.421 3.960 -0.000 0.000 0.118 352 G HA3 0.462 4.421 3.960 -0.000 0.000 0.118 352 G C -1.730 172.945 174.900 -0.375 0.000 1.197 352 G CA -0.479 44.153 45.100 -0.780 0.000 1.152 352 G HN 0.511 nan 8.290 nan 0.000 0.571 353 W N -0.029 120.993 121.300 -0.463 0.000 2.578 353 W HA 0.804 5.463 4.660 -0.000 0.000 0.364 353 W C -0.438 176.024 176.519 -0.095 0.000 1.144 353 W CA -1.391 55.820 57.345 -0.223 0.000 1.242 353 W CB 1.102 30.411 29.460 -0.252 0.000 1.382 353 W HN 0.278 nan 8.180 nan 0.000 0.625 354 V N 3.329 123.312 119.914 0.115 0.000 2.498 354 V HA 0.622 4.742 4.120 -0.000 0.000 0.279 354 V C 0.901 177.067 176.094 0.120 0.000 1.048 354 V CA 0.812 63.143 62.300 0.052 0.000 0.967 354 V CB 0.074 31.935 31.823 0.064 0.000 0.988 354 V HN 1.258 nan 8.190 nan 0.000 0.473 355 G N 5.694 114.516 108.800 0.037 0.000 2.741 355 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.222 355 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.222 355 G C 0.448 175.409 174.900 0.102 0.000 1.364 355 G CA 0.369 45.513 45.100 0.074 0.000 0.866 355 G HN 0.636 nan 8.290 nan 0.000 0.555 356 R N -1.258 119.295 120.500 0.089 0.000 2.051 356 R HA 0.221 4.561 4.340 -0.000 0.000 0.225 356 R C 2.072 178.261 176.300 -0.184 0.000 1.155 356 R CA 1.996 58.066 56.100 -0.049 0.000 0.945 356 R CB -0.108 30.164 30.300 -0.046 0.000 0.840 356 R HN 0.438 nan 8.270 nan 0.000 0.432 357 F N -0.366 119.735 119.950 0.250 0.000 2.767 357 F HA 0.295 4.822 4.527 -0.001 0.000 0.323 357 F C 0.348 176.216 175.800 0.114 0.000 1.091 357 F CA -0.417 57.687 58.000 0.173 0.000 1.192 357 F CB 0.748 39.853 39.000 0.176 0.000 1.056 357 F HN -0.059 nan 8.300 nan 0.000 0.571 358 R N -0.830 119.835 120.500 0.275 0.000 2.828 358 R HA 0.326 4.666 4.340 -0.000 0.000 0.280 358 R C -3.432 172.967 176.300 0.166 0.000 1.020 358 R CA -1.636 54.577 56.100 0.188 0.000 0.855 358 R CB 0.364 30.767 30.300 0.171 0.000 1.278 358 R HN -0.355 nan 8.270 nan 0.000 0.495 359 P HA 0.096 nan 4.420 nan 0.000 0.269 359 P C -0.296 177.057 177.300 0.088 0.000 1.209 359 P CA -0.062 63.091 63.100 0.090 0.000 0.776 359 P CB 0.680 32.411 31.700 0.052 0.000 0.876 360 A N 2.899 125.775 122.820 0.093 0.000 2.425 360 A HA 0.138 4.458 4.320 -0.000 0.000 0.242 360 A C 0.577 178.206 177.584 0.076 0.000 1.077 360 A CA -0.229 51.877 52.037 0.115 0.000 0.781 360 A CB -0.174 18.906 19.000 0.134 0.000 1.020 360 A HN 0.499 nan 8.150 nan 0.000 0.494 361 E N 1.986 122.244 120.200 0.097 0.000 2.331 361 E HA 0.314 4.664 4.350 -0.000 0.000 0.272 361 E C -2.411 174.212 176.600 0.038 0.000 1.036 361 E CA -1.729 54.677 56.400 0.010 0.000 0.864 361 E CB 0.493 30.179 29.700 -0.024 0.000 1.035 361 E HN 0.461 nan 8.360 nan 0.000 0.408 362 P HA 0.158 nan 4.420 nan 0.000 0.279 362 P C -0.641 176.571 177.300 -0.147 0.000 1.239 362 P CA -0.102 62.881 63.100 -0.195 0.000 0.789 362 P CB 0.847 32.053 31.700 -0.824 0.000 0.933 363 H N 2.729 121.820 119.070 0.035 0.000 2.595 363 H HA 0.286 4.842 4.556 -0.000 0.000 0.313 363 H C -0.241 175.193 175.328 0.176 0.000 1.023 363 H CA -0.343 55.802 56.048 0.163 0.000 1.218 363 H CB 0.384 30.264 29.762 0.196 0.000 1.403 363 H HN 0.317 nan 8.280 nan 0.000 0.477 364 F N 1.689 121.780 119.950 0.235 0.000 2.375 364 F HA 0.067 4.594 4.527 -0.000 0.000 0.333 364 F C 1.576 177.536 175.800 0.267 0.000 1.104 364 F CA -0.519 57.636 58.000 0.257 0.000 1.149 364 F CB 1.040 40.125 39.000 0.141 0.000 1.190 364 F HN 0.389 nan 8.300 nan 0.000 0.533 365 T N -1.342 113.484 114.554 0.452 0.000 2.748 365 T HA 0.061 4.410 4.350 -0.000 0.000 0.304 365 T C 1.260 176.140 174.700 0.300 0.000 1.041 365 T CA -0.524 61.783 62.100 0.344 0.000 1.033 365 T CB 0.862 69.911 68.868 0.301 0.000 0.995 365 T HN 0.543 nan 8.240 nan 0.000 0.536 366 S N 0.995 116.831 115.700 0.227 0.000 2.383 366 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 366 S C 1.785 176.490 174.600 0.175 0.000 1.030 366 S CA 1.513 59.825 58.200 0.186 0.000 1.002 366 S CB -0.528 62.761 63.200 0.148 0.000 0.829 366 S HN 0.932 nan 8.310 nan 0.000 0.467 367 D N -0.244 120.263 120.400 0.178 0.000 2.347 367 D HA 0.107 4.747 4.640 -0.000 0.000 0.213 367 D C 1.408 177.817 176.300 0.181 0.000 0.985 367 D CA 0.873 54.969 54.000 0.159 0.000 0.879 367 D CB -0.371 40.514 40.800 0.142 0.000 0.919 367 D HN 0.468 nan 8.370 nan 0.000 0.526 368 G N 1.477 110.425 108.800 0.247 0.000 2.162 368 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.260 368 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.260 368 G C 0.715 175.816 174.900 0.335 0.000 0.976 368 G CA 0.482 45.760 45.100 0.296 0.000 0.655 368 G HN 0.464 nan 8.290 nan 0.000 0.533 369 N N 0.006 118.866 118.700 0.266 0.000 2.463 369 N HA 0.288 5.027 4.740 -0.000 0.000 0.181 369 N C 0.887 176.521 175.510 0.207 0.000 1.078 369 N CA 0.769 53.948 53.050 0.215 0.000 0.902 369 N CB 0.187 38.762 38.487 0.147 0.000 0.970 369 N HN 0.717 nan 8.380 nan 0.000 0.451 370 S N -0.349 115.499 115.700 0.247 0.000 2.625 370 S HA 0.670 5.140 4.470 -0.000 0.000 0.271 370 S C -1.278 173.382 174.600 0.100 0.000 1.161 370 S CA -1.128 57.125 58.200 0.087 0.000 0.820 370 S CB 1.332 64.551 63.200 0.031 0.000 1.137 370 S HN 0.170 nan 8.310 nan 0.000 0.470 371 F N -1.663 118.100 119.950 -0.312 0.000 2.686 371 F HA 0.852 5.378 4.527 -0.000 0.000 0.311 371 F C -2.162 173.407 175.800 -0.385 0.000 1.128 371 F CA -1.482 56.241 58.000 -0.462 0.000 0.946 371 F CB 0.652 38.934 39.000 -1.196 0.000 1.336 371 F HN 0.615 nan 8.300 nan 0.000 0.457 372 Y N 1.139 121.550 120.300 0.185 0.000 2.429 372 Y HA 0.701 5.251 4.550 -0.000 0.000 0.342 372 Y C -0.306 175.752 175.900 0.262 0.000 1.004 372 Y CA -0.913 57.278 58.100 0.152 0.000 1.075 372 Y CB 2.233 40.724 38.460 0.051 0.000 1.214 372 Y HN 0.769 nan 8.280 nan 0.000 0.455 373 K N 2.864 123.488 120.400 0.373 0.000 2.569 373 K HA 0.475 4.795 4.320 -0.000 0.000 0.259 373 K C -1.820 174.929 176.600 0.249 0.000 0.932 373 K CA -0.526 55.951 56.287 0.317 0.000 0.833 373 K CB 1.541 34.214 32.500 0.288 0.000 1.340 373 K HN 0.733 nan 8.250 nan 0.000 0.429 374 I N 6.136 126.815 120.570 0.182 0.000 2.556 374 I HA 0.242 4.411 4.170 -0.000 0.000 0.284 374 I C 0.347 176.558 176.117 0.155 0.000 1.114 374 I CA -0.177 61.209 61.300 0.143 0.000 1.418 374 I CB 0.231 38.290 38.000 0.097 0.000 1.394 374 I HN 0.510 nan 8.210 nan 0.000 0.552 375 I N 1.307 121.991 120.570 0.189 0.000 3.102 375 I HA 0.477 4.647 4.170 -0.000 0.000 0.310 375 I C -0.520 175.714 176.117 0.196 0.000 1.246 375 I CA -0.853 60.553 61.300 0.175 0.000 0.979 375 I CB 2.139 40.255 38.000 0.194 0.000 1.267 375 I HN 0.228 nan 8.210 nan 0.000 0.451 376 S N 2.699 118.467 115.700 0.113 0.000 2.548 376 S HA 0.246 4.716 4.470 -0.000 0.000 0.277 376 S C -0.055 174.632 174.600 0.145 0.000 1.315 376 S CA -0.552 57.673 58.200 0.041 0.000 1.050 376 S CB 0.265 63.431 63.200 -0.056 0.000 0.918 376 S HN 0.785 nan 8.310 nan 0.000 0.497 377 N N 2.405 121.094 118.700 -0.019 0.000 2.431 377 N HA 0.190 4.930 4.740 -0.000 0.000 0.289 377 N C 0.542 176.013 175.510 -0.064 0.000 1.277 377 N CA -0.497 52.452 53.050 -0.168 0.000 0.972 377 N CB -0.086 37.886 38.487 -0.860 0.000 1.143 377 N HN 0.335 nan 8.380 nan 0.000 0.578 378 E N -0.546 119.606 120.200 -0.080 0.000 2.204 378 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 378 E C 0.681 177.252 176.600 -0.048 0.000 0.990 378 E CA 1.352 57.729 56.400 -0.039 0.000 0.821 378 E CB -0.212 29.465 29.700 -0.038 0.000 0.750 378 E HN 0.694 nan 8.360 nan 0.000 0.477 379 E N -0.910 119.261 120.200 -0.049 0.000 2.479 379 E HA 0.165 4.514 4.350 -0.000 0.000 0.193 379 E C 0.673 177.262 176.600 -0.017 0.000 1.049 379 E CA 0.301 56.713 56.400 0.019 0.000 0.870 379 E CB 0.451 30.213 29.700 0.104 0.000 0.944 379 E HN 0.328 nan 8.360 nan 0.000 0.492 380 G N 0.994 109.732 108.800 -0.103 0.000 2.157 380 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.248 380 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.248 380 G C -0.309 174.350 174.900 -0.402 0.000 0.979 380 G CA -0.143 44.798 45.100 -0.264 0.000 0.650 380 G HN 0.237 nan 8.290 nan 0.000 0.529 381 Y N 0.126 120.309 120.300 -0.195 0.000 2.323 381 Y HA 0.624 5.174 4.550 -0.000 0.000 0.331 381 Y C 0.759 176.500 175.900 -0.265 0.000 1.092 381 Y CA -0.858 57.105 58.100 -0.227 0.000 1.150 381 Y CB 1.287 39.623 38.460 -0.206 0.000 1.200 381 Y HN -0.033 nan 8.280 nan 0.000 0.472 382 K N 3.848 124.121 120.400 -0.212 0.000 2.338 382 K HA 0.192 4.512 4.320 -0.000 0.000 0.290 382 K C -0.868 175.432 176.600 -0.500 0.000 1.069 382 K CA 0.186 56.340 56.287 -0.222 0.000 0.941 382 K CB -0.101 32.312 32.500 -0.145 0.000 1.023 382 K HN 0.569 nan 8.250 nan 0.000 0.477 383 H N 1.792 120.810 119.070 -0.086 0.000 2.946 383 H HA 0.368 4.924 4.556 -0.000 0.000 0.365 383 H C -0.227 175.153 175.328 0.086 0.000 1.197 383 H CA -0.933 55.033 56.048 -0.137 0.000 1.131 383 H CB 1.322 30.848 29.762 -0.394 0.000 1.849 383 H HN 0.335 nan 8.280 nan 0.000 0.555 384 I N 1.366 122.004 120.570 0.114 0.000 2.471 384 I HA 0.021 4.190 4.170 -0.000 0.000 0.286 384 I C 0.416 176.604 176.117 0.119 0.000 1.079 384 I CA 0.218 61.563 61.300 0.074 0.000 1.398 384 I CB 0.311 38.245 38.000 -0.110 0.000 1.403 384 I HN 0.153 nan 8.210 nan 0.000 0.530 385 c N 6.632 125.227 118.600 -0.007 0.000 2.456 385 c HA 0.353 4.923 4.570 -0.000 0.000 0.325 385 c C -0.040 173.874 174.090 -0.293 0.000 1.217 385 c CA -0.429 55.661 56.329 -0.399 0.000 1.687 385 c CB 0.911 42.875 42.510 -0.911 0.000 2.270 385 c HN 0.761 nan 8.230 nan 0.000 0.499 386 H N 3.428 122.150 119.070 -0.579 0.000 2.517 386 H HA 0.533 5.089 4.556 -0.000 0.000 0.317 386 H C -1.334 173.467 175.328 -0.879 0.000 1.080 386 H CA -0.308 55.326 56.048 -0.690 0.000 1.301 386 H CB 0.573 30.064 29.762 -0.451 0.000 1.425 386 H HN 0.576 nan 8.280 nan 0.000 0.471 387 F N 2.284 121.560 119.950 -1.124 0.000 2.522 387 F HA 0.271 4.798 4.527 -0.000 0.000 0.324 387 F C 0.133 175.265 175.800 -1.114 0.000 1.077 387 F CA -0.768 56.479 58.000 -1.256 0.000 0.944 387 F CB 1.976 39.746 39.000 -2.050 0.000 1.175 387 F HN 0.491 nan 8.300 nan 0.000 0.468 388 Q N 0.756 120.258 119.800 -0.498 0.000 2.257 388 Q HA 0.230 4.570 4.340 -0.000 0.000 0.255 388 Q C 0.809 176.804 176.000 -0.009 0.000 0.920 388 Q CA -0.321 55.323 55.803 -0.264 0.000 0.927 388 Q CB 1.864 30.492 28.738 -0.182 0.000 1.229 388 Q HN 0.772 nan 8.270 nan 0.000 0.433 389 T N 1.174 115.816 114.554 0.146 0.000 2.721 389 T HA -0.192 4.158 4.350 -0.000 0.000 0.268 389 T C 0.628 175.568 174.700 0.400 0.000 1.038 389 T CA 1.967 64.299 62.100 0.386 0.000 1.145 389 T CB -0.133 68.966 68.868 0.384 0.000 0.858 389 T HN 0.704 nan 8.240 nan 0.000 0.459 390 D N -0.193 120.342 120.400 0.225 0.000 2.559 390 D HA 0.170 4.809 4.640 -0.000 0.000 0.234 390 D C -0.013 176.348 176.300 0.102 0.000 1.226 390 D CA -0.394 53.696 54.000 0.149 0.000 0.830 390 D CB 0.242 41.096 40.800 0.089 0.000 1.028 390 D HN 0.052 nan 8.370 nan 0.000 0.492 391 K N -0.203 120.292 120.400 0.158 0.000 2.375 391 K HA 0.349 4.669 4.320 -0.000 0.000 0.249 391 K C 0.660 177.361 176.600 0.168 0.000 0.942 391 K CA -0.558 55.780 56.287 0.084 0.000 0.806 391 K CB 1.943 34.444 32.500 0.002 0.000 1.227 391 K HN -0.002 nan 8.250 nan 0.000 0.430 392 S N -0.132 115.617 115.700 0.082 0.000 2.478 392 S HA -0.072 4.398 4.470 -0.000 0.000 0.222 392 S C 0.465 175.115 174.600 0.082 0.000 1.008 392 S CA 0.005 58.283 58.200 0.129 0.000 0.928 392 S CB -0.535 62.688 63.200 0.039 0.000 0.781 392 S HN 0.710 nan 8.310 nan 0.000 0.518 393 N N 1.338 120.014 118.700 -0.040 0.000 2.518 393 N HA 0.488 5.227 4.740 -0.000 0.000 0.283 393 N C -0.116 175.185 175.510 -0.348 0.000 1.119 393 N CA -0.570 52.384 53.050 -0.159 0.000 0.983 393 N CB 1.053 39.458 38.487 -0.137 0.000 1.139 393 N HN 0.484 nan 8.380 nan 0.000 0.465 394 c N -0.386 117.878 118.600 -0.561 0.000 2.771 394 c HA 0.775 5.344 4.570 -0.000 0.000 0.333 394 c C -0.334 173.366 174.090 -0.650 0.000 1.267 394 c CA -0.679 55.111 56.329 -0.898 0.000 1.721 394 c CB 1.160 42.550 42.510 -1.867 0.000 2.222 394 c HN 0.725 nan 8.230 nan 0.000 0.485 395 T N 2.091 116.299 114.554 -0.577 0.000 2.809 395 T HA 0.500 4.849 4.350 -0.000 0.000 0.284 395 T C -0.692 173.819 174.700 -0.316 0.000 0.992 395 T CA 0.138 62.048 62.100 -0.317 0.000 0.957 395 T CB 0.336 69.150 68.868 -0.090 0.000 0.942 395 T HN 0.493 nan 8.240 nan 0.000 0.439 396 F N 3.135 122.963 119.950 -0.203 0.000 2.518 396 F HA 0.260 4.787 4.527 -0.000 0.000 0.359 396 F C 1.597 177.223 175.800 -0.291 0.000 1.118 396 F CA -0.695 57.169 58.000 -0.226 0.000 1.287 396 F CB 0.495 39.369 39.000 -0.210 0.000 1.132 396 F HN 0.576 nan 8.300 nan 0.000 0.587 397 I N -0.948 119.509 120.570 -0.189 0.000 4.154 397 I HA 0.279 4.448 4.170 -0.000 0.000 0.334 397 I C -0.046 175.873 176.117 -0.330 0.000 1.371 397 I CA 0.070 61.005 61.300 -0.608 0.000 1.110 397 I CB 0.247 37.587 38.000 -1.099 0.000 1.085 397 I HN 0.497 nan 8.210 nan 0.000 0.398 398 T N -0.050 114.379 114.554 -0.209 0.000 2.896 398 T HA 0.714 5.064 4.350 -0.000 0.000 0.297 398 T C -0.812 173.505 174.700 -0.639 0.000 1.108 398 T CA -0.637 61.329 62.100 -0.224 0.000 1.004 398 T CB 2.782 71.598 68.868 -0.086 0.000 1.159 398 T HN 0.341 nan 8.240 nan 0.000 0.499 399 K N -0.054 119.788 120.400 -0.931 0.000 2.607 399 K HA 0.790 5.110 4.320 -0.000 0.000 0.287 399 K C -0.444 175.480 176.600 -1.125 0.000 0.996 399 K CA -0.326 55.081 56.287 -1.466 0.000 0.876 399 K CB 1.321 33.380 32.500 -0.735 0.000 1.496 399 K HN 1.896 nan 8.250 nan 0.000 0.415 400 G N -0.795 107.386 108.800 -1.032 0.000 2.351 400 G HA2 0.413 4.373 3.960 -0.000 0.000 0.353 400 G HA3 0.413 4.373 3.960 -0.000 0.000 0.353 400 G C -1.300 173.058 174.900 -0.903 0.000 1.358 400 G CA -0.236 44.446 45.100 -0.696 0.000 0.995 400 G HN 1.003 nan 8.290 nan 0.000 0.611 401 A N 0.962 123.430 122.820 -0.587 0.000 3.202 401 A HA 0.646 4.966 4.320 -0.000 0.000 0.258 401 A C 0.292 177.713 177.584 -0.272 0.000 1.572 401 A CA 0.567 52.067 52.037 -0.895 0.000 1.241 401 A CB -1.135 17.617 19.000 -0.414 0.000 1.127 401 A HN 1.681 nan 8.150 nan 0.000 0.648 402 W N -1.071 120.082 121.300 -0.244 0.000 2.874 402 W HA 0.673 5.333 4.660 -0.000 0.000 0.403 402 W C -1.168 175.374 176.519 0.038 0.000 1.144 402 W CA -0.751 56.607 57.345 0.022 0.000 1.175 402 W CB 0.411 29.874 29.460 0.004 0.000 1.483 402 W HN 0.205 nan 8.180 nan 0.000 0.591 403 E N 0.738 121.150 120.200 0.353 0.000 2.340 403 E HA 0.420 4.769 4.350 -0.000 0.000 0.273 403 E C -1.256 175.466 176.600 0.204 0.000 0.891 403 E CA -1.107 55.285 56.400 -0.013 0.000 0.757 403 E CB 3.435 33.164 29.700 0.049 0.000 1.231 403 E HN 0.153 nan 8.360 nan 0.000 0.439 404 V N 3.927 123.822 119.914 -0.031 0.000 2.488 404 V HA 0.009 4.129 4.120 -0.000 0.000 0.277 404 V C 1.203 177.387 176.094 0.149 0.000 1.046 404 V CA 0.028 62.413 62.300 0.143 0.000 0.986 404 V CB 0.560 32.348 31.823 -0.058 0.000 0.989 404 V HN 0.687 nan 8.190 nan 0.000 0.475 405 I N 3.186 123.883 120.570 0.212 0.000 2.339 405 I HA 0.254 4.424 4.170 -0.000 0.000 0.245 405 I C 1.117 177.352 176.117 0.197 0.000 1.096 405 I CA 1.216 62.639 61.300 0.205 0.000 1.408 405 I CB -0.830 37.246 38.000 0.126 0.000 1.092 405 I HN 0.746 nan 8.210 nan 0.000 0.423 406 G N 0.624 109.535 108.800 0.185 0.000 2.632 406 G HA2 0.541 4.501 3.960 -0.000 0.000 0.292 406 G HA3 0.541 4.501 3.960 -0.000 0.000 0.292 406 G C -1.268 173.701 174.900 0.116 0.000 1.465 406 G CA -0.571 44.622 45.100 0.156 0.000 0.824 406 G HN -0.037 nan 8.290 nan 0.000 0.509 407 I N 1.486 122.031 120.570 -0.041 0.000 2.342 407 I HA 0.242 4.412 4.170 -0.000 0.000 0.291 407 I C 0.845 176.870 176.117 -0.153 0.000 1.010 407 I CA -0.550 60.623 61.300 -0.212 0.000 1.308 407 I CB 1.843 39.426 38.000 -0.694 0.000 1.400 407 I HN 0.492 nan 8.210 nan 0.000 0.488 408 E N 4.555 124.741 120.200 -0.022 0.000 2.127 408 E HA 0.272 4.622 4.350 -0.000 0.000 0.191 408 E C 0.135 176.674 176.600 -0.102 0.000 0.964 408 E CA 0.380 56.793 56.400 0.022 0.000 0.832 408 E CB 0.709 30.462 29.700 0.089 0.000 0.790 408 E HN 0.731 nan 8.360 nan 0.000 0.465 409 A N 0.246 122.915 122.820 -0.251 0.000 2.612 409 A HA 0.613 4.932 4.320 -0.000 0.000 0.293 409 A C -1.914 175.619 177.584 -0.084 0.000 1.075 409 A CA -0.606 51.256 52.037 -0.292 0.000 0.680 409 A CB 1.311 19.730 19.000 -0.969 0.000 1.279 409 A HN 0.047 nan 8.150 nan 0.000 0.411 410 L N 1.129 122.359 121.223 0.012 0.000 2.436 410 L HA 0.839 5.179 4.340 -0.000 0.000 0.268 410 L C 0.130 177.062 176.870 0.104 0.000 0.974 410 L CA 0.493 55.373 54.840 0.066 0.000 0.826 410 L CB 2.241 44.370 42.059 0.116 0.000 1.291 410 L HN 1.233 nan 8.230 nan 0.000 0.406 411 T N -0.528 114.100 114.554 0.123 0.000 2.807 411 T HA 0.417 4.767 4.350 -0.000 0.000 0.277 411 T C 0.958 175.719 174.700 0.101 0.000 1.006 411 T CA 0.088 62.271 62.100 0.138 0.000 1.006 411 T CB 1.113 70.106 68.868 0.207 0.000 1.274 411 T HN 0.663 nan 8.240 nan 0.000 0.569 412 S N -0.511 115.243 115.700 0.089 0.000 2.453 412 S HA -0.051 4.418 4.470 -0.000 0.000 0.231 412 S C 0.853 175.439 174.600 -0.022 0.000 1.005 412 S CA 0.909 59.142 58.200 0.055 0.000 0.949 412 S CB -0.481 62.752 63.200 0.055 0.000 0.774 412 S HN 0.705 nan 8.310 nan 0.000 0.510 413 D N -0.589 119.767 120.400 -0.074 0.000 2.431 413 D HA 0.246 4.886 4.640 -0.000 0.000 0.227 413 D C -0.334 175.619 176.300 -0.580 0.000 1.030 413 D CA 0.592 54.374 54.000 -0.364 0.000 0.897 413 D CB 0.298 40.773 40.800 -0.542 0.000 1.058 413 D HN 0.445 nan 8.370 nan 0.000 0.500 414 Y N -0.218 120.035 120.300 -0.078 0.000 2.605 414 Y HA 0.556 5.105 4.550 -0.001 0.000 0.343 414 Y C -0.526 175.232 175.900 -0.236 0.000 1.036 414 Y CA -1.126 56.855 58.100 -0.199 0.000 1.065 414 Y CB 2.270 40.525 38.460 -0.342 0.000 1.288 414 Y HN -0.298 nan 8.280 nan 0.000 0.481 415 L N 1.425 122.557 121.223 -0.151 0.000 2.410 415 L HA 0.622 4.962 4.340 -0.000 0.000 0.270 415 L C -2.032 174.728 176.870 -0.184 0.000 0.983 415 L CA -0.614 54.123 54.840 -0.172 0.000 0.822 415 L CB 1.362 43.225 42.059 -0.327 0.000 1.285 415 L HN 0.623 nan 8.230 nan 0.000 0.409 416 Y N 4.508 124.728 120.300 -0.133 0.000 2.377 416 Y HA 0.591 5.141 4.550 -0.000 0.000 0.339 416 Y C -0.545 175.341 175.900 -0.023 0.000 1.011 416 Y CA -0.414 57.594 58.100 -0.153 0.000 1.093 416 Y CB 1.540 39.752 38.460 -0.412 0.000 1.201 416 Y HN 0.528 nan 8.280 nan 0.000 0.455 417 Y N 0.799 121.148 120.300 0.082 0.000 2.597 417 Y HA 0.773 5.323 4.550 -0.000 0.000 0.340 417 Y C -1.820 174.168 175.900 0.147 0.000 1.097 417 Y CA -1.773 56.369 58.100 0.070 0.000 1.037 417 Y CB 1.107 39.583 38.460 0.026 0.000 1.305 417 Y HN 0.296 nan 8.280 nan 0.000 0.463 418 I N 3.284 124.014 120.570 0.267 0.000 2.392 418 I HA 0.591 4.761 4.170 -0.000 0.000 0.295 418 I C -0.033 176.277 176.117 0.320 0.000 0.985 418 I CA -0.257 61.159 61.300 0.193 0.000 1.221 418 I CB 1.440 39.521 38.000 0.135 0.000 1.366 418 I HN 0.881 nan 8.210 nan 0.000 0.467 419 S N 3.923 119.787 115.700 0.273 0.000 2.638 419 S HA 0.455 4.924 4.470 -0.000 0.000 0.274 419 S C -0.343 174.345 174.600 0.147 0.000 1.157 419 S CA -0.810 57.551 58.200 0.267 0.000 0.826 419 S CB 1.923 65.305 63.200 0.302 0.000 1.139 419 S HN 0.590 nan 8.310 nan 0.000 0.474 420 N N -0.167 118.622 118.700 0.147 0.000 2.321 420 N HA 0.137 4.877 4.740 -0.000 0.000 0.242 420 N C 0.596 176.121 175.510 0.024 0.000 1.141 420 N CA -0.198 52.892 53.050 0.067 0.000 0.864 420 N CB 0.219 38.739 38.487 0.055 0.000 1.100 420 N HN 0.834 nan 8.380 nan 0.000 0.510 421 E N 0.309 120.395 120.200 -0.191 0.000 2.077 421 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 421 E C -0.120 176.353 176.600 -0.212 0.000 0.989 421 E CA 0.544 56.589 56.400 -0.591 0.000 0.800 421 E CB -0.174 28.587 29.700 -1.565 0.000 0.746 421 E HN 0.488 nan 8.360 nan 0.000 0.452 422 H N 1.230 120.230 119.070 -0.117 0.000 3.167 422 H HA -0.053 4.503 4.556 -0.000 0.000 0.306 422 H C 0.065 175.368 175.328 -0.041 0.000 0.965 422 H CA 1.310 57.329 56.048 -0.049 0.000 1.408 422 H CB 0.143 29.897 29.762 -0.013 0.000 1.406 422 H HN 0.162 nan 8.280 nan 0.000 0.576 423 K N 2.913 123.063 120.400 -0.416 0.000 3.193 423 K HA -0.242 4.078 4.320 -0.000 0.000 0.294 423 K C 0.950 177.511 176.600 -0.066 0.000 1.185 423 K CA 0.804 56.923 56.287 -0.280 0.000 0.866 423 K CB -1.648 30.660 32.500 -0.319 0.000 1.227 423 K HN 1.101 nan 8.250 nan 0.000 0.467 424 G N 0.706 109.484 108.800 -0.035 0.000 2.233 424 G HA2 -0.338 3.621 3.960 -0.000 0.000 0.270 424 G HA3 -0.338 3.621 3.960 -0.000 0.000 0.270 424 G C 0.052 174.997 174.900 0.074 0.000 1.011 424 G CA 0.909 46.050 45.100 0.068 0.000 0.762 424 G HN 0.348 nan 8.290 nan 0.000 0.511 425 M N 0.891 120.438 119.600 -0.090 0.000 2.069 425 M HA 0.221 4.701 4.480 -0.000 0.000 0.349 425 M C -0.889 175.200 176.300 -0.352 0.000 1.194 425 M CA -1.989 53.069 55.300 -0.402 0.000 1.081 425 M CB 1.488 33.855 32.600 -0.388 0.000 1.500 425 M HN -0.087 nan 8.290 nan 0.000 0.438 426 P HA -0.098 nan 4.420 nan 0.000 0.223 426 P C 0.951 178.155 177.300 -0.160 0.000 1.144 426 P CA 1.175 64.171 63.100 -0.173 0.000 0.783 426 P CB 0.108 31.757 31.700 -0.086 0.000 0.771 427 G N -0.793 107.838 108.800 -0.282 0.000 3.434 427 G HA2 0.360 4.319 3.960 -0.000 0.000 0.258 427 G HA3 0.360 4.319 3.960 -0.000 0.000 0.258 427 G C 0.579 175.494 174.900 0.026 0.000 1.128 427 G CA 0.043 45.085 45.100 -0.097 0.000 0.792 427 G HN 0.418 nan 8.290 nan 0.000 0.539 428 G N -0.188 108.572 108.800 -0.068 0.000 2.489 428 G HA2 0.677 4.637 3.960 -0.000 0.000 0.327 428 G HA3 0.677 4.637 3.960 -0.000 0.000 0.327 428 G C -0.932 173.861 174.900 -0.178 0.000 1.189 428 G CA -0.783 44.305 45.100 -0.019 0.000 0.962 428 G HN 0.084 nan 8.290 nan 0.000 0.486 429 R N 0.831 121.188 120.500 -0.239 0.000 2.564 429 R HA 0.420 4.760 4.340 -0.000 0.000 0.284 429 R C -1.357 174.922 176.300 -0.034 0.000 1.031 429 R CA -0.790 55.149 56.100 -0.268 0.000 0.904 429 R CB 2.125 32.016 30.300 -0.682 0.000 1.199 429 R HN 0.603 nan 8.270 nan 0.000 0.443 430 N N 1.621 120.318 118.700 -0.004 0.000 2.284 430 N HA 0.326 5.066 4.740 -0.000 0.000 0.289 430 N C -1.230 174.135 175.510 -0.243 0.000 1.179 430 N CA -0.817 52.139 53.050 -0.157 0.000 0.774 430 N CB 2.791 41.068 38.487 -0.350 0.000 1.548 430 N HN 0.272 nan 8.380 nan 0.000 0.473 431 L N 2.343 123.291 121.223 -0.459 0.000 2.290 431 L HA 0.429 4.769 4.340 -0.000 0.000 0.284 431 L C -1.367 175.126 176.870 -0.629 0.000 1.078 431 L CA 0.154 54.757 54.840 -0.395 0.000 0.815 431 L CB -0.194 41.645 42.059 -0.365 0.000 1.162 431 L HN 0.405 nan 8.230 nan 0.000 0.435 432 Y N 4.200 124.167 120.300 -0.556 0.000 2.570 432 Y HA 0.672 5.222 4.550 -0.001 0.000 0.345 432 Y C -0.203 175.368 175.900 -0.549 0.000 1.014 432 Y CA -0.854 56.861 58.100 -0.641 0.000 1.063 432 Y CB 1.584 39.444 38.460 -1.000 0.000 1.272 432 Y HN 0.513 nan 8.280 nan 0.000 0.477 433 R N 2.539 122.901 120.500 -0.231 0.000 2.575 433 R HA 0.681 5.020 4.340 -0.000 0.000 0.293 433 R C -2.037 174.203 176.300 -0.100 0.000 0.983 433 R CA -0.638 55.254 56.100 -0.346 0.000 0.887 433 R CB 1.610 31.552 30.300 -0.597 0.000 1.184 433 R HN 0.893 nan 8.270 nan 0.000 0.445 434 I N 2.732 123.295 120.570 -0.011 0.000 2.509 434 I HA 0.271 4.441 4.170 -0.000 0.000 0.293 434 I C -0.691 175.492 176.117 0.110 0.000 1.020 434 I CA -0.765 60.600 61.300 0.109 0.000 1.088 434 I CB 2.067 40.173 38.000 0.176 0.000 1.267 434 I HN 0.685 nan 8.210 nan 0.000 0.430 435 Q N 4.918 124.799 119.800 0.136 0.000 2.293 435 Q HA 0.155 4.495 4.340 -0.000 0.000 0.263 435 Q C 0.361 176.359 176.000 -0.003 0.000 1.002 435 Q CA -0.531 55.277 55.803 0.008 0.000 0.910 435 Q CB 1.298 30.028 28.738 -0.013 0.000 1.185 435 Q HN 0.722 nan 8.270 nan 0.000 0.401 436 L N 3.536 124.700 121.223 -0.098 0.000 2.187 436 L HA -0.211 4.129 4.340 -0.000 0.000 0.213 436 L C 1.429 178.266 176.870 -0.055 0.000 1.100 436 L CA 1.582 56.422 54.840 0.000 0.000 0.765 436 L CB -0.623 41.392 42.059 -0.073 0.000 0.904 436 L HN 0.699 nan 8.230 nan 0.000 0.437 437 N N -2.233 116.374 118.700 -0.154 0.000 2.268 437 N HA 0.069 4.809 4.740 -0.000 0.000 0.204 437 N C -0.548 174.808 175.510 -0.257 0.000 1.124 437 N CA 0.054 52.986 53.050 -0.197 0.000 0.838 437 N CB 0.210 38.610 38.487 -0.146 0.000 0.994 437 N HN 0.143 nan 8.380 nan 0.000 0.489 438 D N -0.521 119.716 120.400 -0.272 0.000 2.266 438 D HA 0.041 4.681 4.640 -0.000 0.000 0.218 438 D C -0.696 175.563 176.300 -0.068 0.000 1.311 438 D CA -0.517 53.345 54.000 -0.230 0.000 0.918 438 D CB -0.316 40.417 40.800 -0.112 0.000 1.530 438 D HN -0.076 nan 8.370 nan 0.000 0.514 439 Y N 1.265 121.557 120.300 -0.013 0.000 2.639 439 Y HA 0.011 4.561 4.550 -0.000 0.000 0.297 439 Y C 2.292 178.202 175.900 0.016 0.000 1.151 439 Y CA 0.718 58.818 58.100 0.001 0.000 1.335 439 Y CB -0.653 37.807 38.460 0.001 0.000 0.994 439 Y HN 0.326 nan 8.280 nan 0.000 0.548 440 T N -0.644 113.983 114.554 0.122 0.000 2.942 440 T HA -0.051 4.298 4.350 -0.000 0.000 0.265 440 T C 0.912 175.660 174.700 0.080 0.000 1.062 440 T CA 0.559 62.709 62.100 0.083 0.000 1.139 440 T CB -0.082 68.808 68.868 0.037 0.000 0.883 440 T HN 0.174 nan 8.240 nan 0.000 0.468 441 K N 2.468 122.914 120.400 0.076 0.000 2.083 441 K HA 0.335 4.655 4.320 -0.000 0.000 0.246 441 K C -0.898 175.761 176.600 0.099 0.000 1.160 441 K CA -0.128 56.204 56.287 0.075 0.000 1.060 441 K CB 0.397 32.936 32.500 0.065 0.000 1.417 441 K HN 0.067 nan 8.250 nan 0.000 0.329 442 V N 2.292 122.264 119.914 0.096 0.000 2.448 442 V HA 0.386 4.506 4.120 -0.000 0.000 0.295 442 V C -0.881 175.262 176.094 0.081 0.000 1.025 442 V CA -0.143 62.224 62.300 0.112 0.000 0.859 442 V CB 1.915 33.829 31.823 0.151 0.000 0.988 442 V HN 0.532 nan 8.190 nan 0.000 0.431 443 T N 5.819 120.398 114.554 0.043 0.000 2.841 443 T HA 0.322 4.671 4.350 -0.000 0.000 0.283 443 T C -0.675 173.970 174.700 -0.093 0.000 1.000 443 T CA -0.321 61.767 62.100 -0.019 0.000 0.977 443 T CB 1.247 70.074 68.868 -0.068 0.000 0.979 443 T HN 0.889 nan 8.240 nan 0.000 0.446 444 C N 5.060 124.236 119.300 -0.207 0.000 2.303 444 C HA 0.446 4.906 4.460 -0.000 0.000 0.341 444 C C 1.714 176.402 174.990 -0.503 0.000 1.244 444 C CA -0.624 58.009 59.018 -0.642 0.000 1.765 444 C CB -1.905 25.337 27.740 -0.830 0.000 2.379 444 C HN 0.991 nan 8.230 nan 0.000 0.530 445 L N 4.600 125.509 121.223 -0.522 0.000 2.341 445 L HA 0.045 4.385 4.340 -0.000 0.000 0.214 445 L C 2.242 178.838 176.870 -0.457 0.000 1.115 445 L CA 1.211 55.822 54.840 -0.382 0.000 0.820 445 L CB -0.273 41.590 42.059 -0.327 0.000 0.944 445 L HN 0.903 nan 8.230 nan 0.000 0.452 446 S N -3.107 112.203 115.700 -0.649 0.000 2.554 446 S HA -0.021 4.449 4.470 -0.000 0.000 0.227 446 S C 1.888 176.141 174.600 -0.578 0.000 1.050 446 S CA -0.092 57.640 58.200 -0.781 0.000 0.927 446 S CB -0.347 62.002 63.200 -1.417 0.000 0.859 446 S HN 0.302 nan 8.310 nan 0.000 0.494 447 C N 2.001 120.938 119.300 -0.605 0.000 2.391 447 C HA -0.021 4.438 4.460 -0.000 0.000 0.276 447 C C 2.233 177.032 174.990 -0.317 0.000 1.217 447 C CA 1.426 60.079 59.018 -0.609 0.000 1.766 447 C CB -1.083 26.045 27.740 -1.020 0.000 2.046 447 C HN 0.602 nan 8.230 nan 0.000 0.475 448 E N -0.340 119.719 120.200 -0.236 0.000 2.499 448 E HA 0.243 4.593 4.350 -0.000 0.000 0.199 448 E C 1.664 178.232 176.600 -0.053 0.000 1.016 448 E CA -0.097 56.244 56.400 -0.098 0.000 0.933 448 E CB -0.143 29.508 29.700 -0.081 0.000 1.050 448 E HN 0.548 nan 8.360 nan 0.000 0.462 449 L N -0.282 120.907 121.223 -0.056 0.000 2.072 449 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 449 L C 0.024 176.913 176.870 0.032 0.000 1.079 449 L CA 0.992 55.829 54.840 -0.004 0.000 0.752 449 L CB -0.057 42.006 42.059 0.007 0.000 0.906 449 L HN 0.070 nan 8.230 nan 0.000 0.436 450 N N -1.573 117.163 118.700 0.059 0.000 2.700 450 N HA 0.092 4.832 4.740 -0.000 0.000 0.242 450 N C -2.046 173.495 175.510 0.051 0.000 1.541 450 N CA -0.643 52.433 53.050 0.043 0.000 0.764 450 N CB 0.868 39.374 38.487 0.031 0.000 1.319 450 N HN -0.102 nan 8.380 nan 0.000 0.518 451 P HA -0.240 nan 4.420 nan 0.000 0.217 451 P C 0.501 177.838 177.300 0.062 0.000 1.148 451 P CA 1.573 64.717 63.100 0.074 0.000 0.834 451 P CB 0.601 32.346 31.700 0.074 0.000 0.783 452 E N -0.627 119.594 120.200 0.036 0.000 2.140 452 E HA -0.051 4.298 4.350 -0.000 0.000 0.191 452 E C 2.297 178.903 176.600 0.009 0.000 0.973 452 E CA 0.523 56.938 56.400 0.024 0.000 0.829 452 E CB -0.347 29.362 29.700 0.015 0.000 0.781 452 E HN 0.316 nan 8.360 nan 0.000 0.466 453 R N -0.097 120.398 120.500 -0.008 0.000 2.127 453 R HA 0.058 4.398 4.340 -0.000 0.000 0.217 453 R C 0.036 176.295 176.300 -0.070 0.000 1.074 453 R CA 0.622 56.697 56.100 -0.042 0.000 0.991 453 R CB 0.351 30.616 30.300 -0.059 0.000 0.895 453 R HN 0.006 nan 8.270 nan 0.000 0.450 454 c N 0.981 119.545 118.600 -0.060 0.000 2.356 454 c HA 0.404 4.973 4.570 -0.000 0.000 0.324 454 c C -0.023 174.050 174.090 -0.029 0.000 1.167 454 c CA -0.697 55.535 56.329 -0.161 0.000 1.420 454 c CB 1.237 43.587 42.510 -0.266 0.000 2.036 454 c HN 0.521 nan 8.230 nan 0.000 0.435 455 Q N 0.347 120.138 119.800 -0.014 0.000 2.140 455 Q HA 0.201 4.541 4.340 -0.000 0.000 0.227 455 Q C -0.856 175.231 176.000 0.146 0.000 0.798 455 Q CA 0.112 55.984 55.803 0.114 0.000 0.987 455 Q CB 1.264 30.069 28.738 0.112 0.000 1.161 455 Q HN 0.788 nan 8.270 nan 0.000 0.480 456 Y N 0.467 120.716 120.300 -0.085 0.000 2.373 456 Y HA 0.378 4.928 4.550 -0.001 0.000 0.327 456 Y C -1.666 174.218 175.900 -0.027 0.000 1.036 456 Y CA -1.132 56.976 58.100 0.013 0.000 1.265 456 Y CB 0.672 39.160 38.460 0.046 0.000 1.108 456 Y HN -0.087 nan 8.280 nan 0.000 0.471 457 Y N 2.120 122.456 120.300 0.061 0.000 2.509 457 Y HA 0.677 5.227 4.550 -0.001 0.000 0.341 457 Y C 0.167 176.152 175.900 0.141 0.000 1.038 457 Y CA -0.669 57.486 58.100 0.092 0.000 1.089 457 Y CB 2.311 40.737 38.460 -0.057 0.000 1.241 457 Y HN 0.491 nan 8.280 nan 0.000 0.468 458 S N 0.946 116.908 115.700 0.437 0.000 2.632 458 S HA 0.984 5.454 4.470 -0.000 0.000 0.289 458 S C -1.160 173.609 174.600 0.281 0.000 1.115 458 S CA -0.601 57.819 58.200 0.368 0.000 0.889 458 S CB 2.043 65.549 63.200 0.510 0.000 1.116 458 S HN 1.005 nan 8.310 nan 0.000 0.486 459 A N 0.581 123.549 122.820 0.248 0.000 2.515 459 A HA 0.898 5.218 4.320 -0.000 0.000 0.296 459 A C -0.630 177.120 177.584 0.277 0.000 1.094 459 A CA -0.709 51.446 52.037 0.198 0.000 0.718 459 A CB 1.708 20.769 19.000 0.101 0.000 1.307 459 A HN 1.455 nan 8.150 nan 0.000 0.408 460 S N 0.394 116.247 115.700 0.255 0.000 2.733 460 S HA 0.720 5.189 4.470 -0.000 0.000 0.294 460 S C -1.521 173.316 174.600 0.394 0.000 1.149 460 S CA -0.367 58.074 58.200 0.401 0.000 1.034 460 S CB 0.032 63.485 63.200 0.423 0.000 1.015 460 S HN 0.465 nan 8.310 nan 0.000 0.486 461 F N 2.913 122.971 119.950 0.181 0.000 2.399 461 F HA 0.541 5.068 4.527 -0.000 0.000 0.328 461 F C 1.297 176.742 175.800 -0.592 0.000 1.084 461 F CA -0.423 57.516 58.000 -0.102 0.000 1.053 461 F CB 1.723 40.619 39.000 -0.174 0.000 1.209 461 F HN 0.661 nan 8.300 nan 0.000 0.502 462 S N 1.007 116.078 115.700 -1.049 0.000 2.641 462 S HA 0.321 4.791 4.470 -0.000 0.000 0.261 462 S C -0.211 174.163 174.600 -0.376 0.000 1.257 462 S CA -0.996 56.355 58.200 -1.415 0.000 0.983 462 S CB 0.138 62.383 63.200 -1.592 0.000 0.990 462 S HN 0.653 nan 8.310 nan 0.000 0.572 463 N N 1.319 119.924 118.700 -0.158 0.000 2.454 463 N HA 0.096 4.836 4.740 -0.000 0.000 0.254 463 N C -0.086 175.429 175.510 0.008 0.000 1.228 463 N CA -0.287 52.763 53.050 0.000 0.000 0.900 463 N CB 0.127 38.655 38.487 0.069 0.000 1.089 463 N HN 0.522 nan 8.380 nan 0.000 0.449 464 K N 0.500 120.924 120.400 0.040 0.000 3.472 464 K HA -0.295 4.025 4.320 -0.000 0.000 0.315 464 K C 0.182 176.803 176.600 0.035 0.000 1.320 464 K CA 0.914 57.232 56.287 0.051 0.000 0.962 464 K CB -1.921 30.617 32.500 0.063 0.000 1.251 464 K HN 0.968 nan 8.250 nan 0.000 0.443 465 A N -0.039 122.788 122.820 0.011 0.000 2.822 465 A HA -0.318 4.002 4.320 -0.000 0.000 0.287 465 A C 1.252 178.862 177.584 0.043 0.000 1.479 465 A CA 2.100 54.174 52.037 0.063 0.000 0.779 465 A CB -1.512 17.428 19.000 -0.099 0.000 1.022 465 A HN 0.527 nan 8.150 nan 0.000 0.532 466 K N -2.082 118.275 120.400 -0.071 0.000 2.243 466 K HA 0.139 4.459 4.320 -0.000 0.000 0.201 466 K C 0.038 176.243 176.600 -0.659 0.000 1.051 466 K CA 1.252 57.369 56.287 -0.283 0.000 0.970 466 K CB 0.156 32.516 32.500 -0.233 0.000 0.755 466 K HN 0.729 nan 8.250 nan 0.000 0.465 467 Y N -0.709 119.534 120.300 -0.095 0.000 2.581 467 Y HA 0.315 4.865 4.550 -0.001 0.000 0.345 467 Y C -0.809 174.977 175.900 -0.191 0.000 1.036 467 Y CA -1.643 56.388 58.100 -0.116 0.000 1.042 467 Y CB 1.651 40.102 38.460 -0.015 0.000 1.289 467 Y HN -0.052 nan 8.280 nan 0.000 0.471 468 Y N -1.028 119.216 120.300 -0.093 0.000 2.513 468 Y HA 0.527 5.077 4.550 -0.001 0.000 0.340 468 Y C -1.145 174.761 175.900 0.010 0.000 1.055 468 Y CA -1.498 56.382 58.100 -0.366 0.000 1.020 468 Y CB 1.436 39.021 38.460 -1.459 0.000 1.301 468 Y HN 0.610 nan 8.280 nan 0.000 0.453 469 Q N 3.653 123.594 119.800 0.235 0.000 2.256 469 Q HA 0.550 4.890 4.340 -0.000 0.000 0.254 469 Q C -1.726 174.365 176.000 0.153 0.000 0.916 469 Q CA -0.652 55.235 55.803 0.140 0.000 0.932 469 Q CB 1.212 29.999 28.738 0.080 0.000 1.207 469 Q HN 0.957 nan 8.270 nan 0.000 0.426 470 L N 4.552 125.859 121.223 0.140 0.000 2.295 470 L HA 0.531 4.871 4.340 -0.000 0.000 0.285 470 L C -0.373 176.518 176.870 0.036 0.000 1.035 470 L CA -0.601 54.306 54.840 0.113 0.000 0.806 470 L CB 1.436 43.519 42.059 0.040 0.000 1.214 470 L HN 0.652 nan 8.230 nan 0.000 0.426 471 R N 2.630 123.115 120.500 -0.025 0.000 2.337 471 R HA 0.323 4.663 4.340 -0.000 0.000 0.319 471 R C -0.958 174.917 176.300 -0.707 0.000 0.954 471 R CA -0.493 55.271 56.100 -0.561 0.000 0.840 471 R CB 1.645 31.697 30.300 -0.413 0.000 1.164 471 R HN 0.574 nan 8.270 nan 0.000 0.472 472 c N 4.613 122.646 118.600 -0.944 0.000 2.285 472 c HA 0.455 5.025 4.570 -0.000 0.000 0.335 472 c C 0.527 174.112 174.090 -0.841 0.000 1.267 472 c CA -0.554 55.197 56.329 -0.964 0.000 1.762 472 c CB -0.780 41.231 42.510 -0.831 0.000 2.365 472 c HN 0.961 nan 8.230 nan 0.000 0.527 473 F N 4.155 123.969 119.950 -0.227 0.000 2.695 473 F HA 0.465 4.992 4.527 -0.000 0.000 0.303 473 F C 1.496 177.267 175.800 -0.049 0.000 1.091 473 F CA 0.722 58.669 58.000 -0.090 0.000 1.300 473 F CB 0.300 39.278 39.000 -0.036 0.000 1.071 473 F HN 0.984 nan 8.300 nan 0.000 0.578 474 G N -0.064 108.762 108.800 0.043 0.000 2.315 474 G HA2 0.142 4.101 3.960 -0.000 0.000 0.294 474 G HA3 0.142 4.101 3.960 -0.000 0.000 0.294 474 G C -2.521 172.391 174.900 0.021 0.000 1.300 474 G CA -0.628 44.513 45.100 0.067 0.000 0.843 474 G HN -0.316 nan 8.290 nan 0.000 0.527 475 P HA 0.119 nan 4.420 nan 0.000 0.229 475 P C 1.247 178.600 177.300 0.087 0.000 1.160 475 P CA 1.399 64.549 63.100 0.083 0.000 0.777 475 P CB 0.315 32.052 31.700 0.062 0.000 0.814 476 G N 0.389 109.175 108.800 -0.023 0.000 2.525 476 G HA2 0.394 4.354 3.960 -0.000 0.000 0.287 476 G HA3 0.394 4.354 3.960 -0.000 0.000 0.287 476 G C -0.208 174.502 174.900 -0.317 0.000 1.350 476 G CA -0.772 44.248 45.100 -0.133 0.000 1.039 476 G HN 0.029 nan 8.290 nan 0.000 0.513 477 L N 1.111 122.064 121.223 -0.451 0.000 2.490 477 L HA 0.112 4.452 4.340 -0.000 0.000 0.274 477 L C -1.879 174.826 176.870 -0.276 0.000 1.201 477 L CA -1.107 53.407 54.840 -0.543 0.000 0.869 477 L CB 0.463 42.294 42.059 -0.380 0.000 1.123 477 L HN 0.232 nan 8.230 nan 0.000 0.484 478 P HA 0.029 nan 4.420 nan 0.000 0.264 478 P C -0.889 176.335 177.300 -0.127 0.000 1.183 478 P CA 0.060 63.087 63.100 -0.122 0.000 0.763 478 P CB 0.576 32.340 31.700 0.106 0.000 0.807 479 L N 5.327 126.363 121.223 -0.311 0.000 2.439 479 L HA 0.477 4.816 4.340 -0.000 0.000 0.270 479 L C -1.798 174.855 176.870 -0.362 0.000 0.972 479 L CA -0.639 54.079 54.840 -0.203 0.000 0.836 479 L CB 0.927 42.885 42.059 -0.168 0.000 1.255 479 L HN 0.211 nan 8.230 nan 0.000 0.404 480 Y N 2.859 123.072 120.300 -0.144 0.000 2.335 480 Y HA 0.760 5.310 4.550 -0.000 0.000 0.338 480 Y C 0.575 176.358 175.900 -0.195 0.000 0.977 480 Y CA -0.491 57.517 58.100 -0.153 0.000 1.114 480 Y CB 2.031 40.406 38.460 -0.142 0.000 1.182 480 Y HN 0.690 nan 8.280 nan 0.000 0.463 481 T N 1.182 115.726 114.554 -0.017 0.000 2.901 481 T HA 0.699 5.048 4.350 -0.000 0.000 0.293 481 T C -1.320 173.328 174.700 -0.086 0.000 1.084 481 T CA -0.974 61.079 62.100 -0.079 0.000 1.008 481 T CB 1.834 70.729 68.868 0.046 0.000 1.170 481 T HN 0.583 nan 8.240 nan 0.000 0.509 482 L N 1.335 122.392 121.223 -0.275 0.000 2.329 482 L HA 0.677 5.017 4.340 -0.000 0.000 0.279 482 L C -1.279 175.300 176.870 -0.484 0.000 1.014 482 L CA -0.775 53.929 54.840 -0.226 0.000 0.814 482 L CB 1.454 43.391 42.059 -0.204 0.000 1.257 482 L HN 0.895 nan 8.230 nan 0.000 0.424 483 H N 0.971 119.801 119.070 -0.400 0.000 2.928 483 H HA 0.356 4.911 4.556 -0.000 0.000 0.371 483 H C -0.800 174.271 175.328 -0.429 0.000 1.186 483 H CA -0.480 55.227 56.048 -0.569 0.000 1.134 483 H CB 2.097 31.167 29.762 -1.154 0.000 1.824 483 H HN 0.425 nan 8.280 nan 0.000 0.554 484 S N 0.324 115.954 115.700 -0.117 0.000 2.480 484 S HA 0.220 4.689 4.470 -0.000 0.000 0.286 484 S C 0.581 175.127 174.600 -0.091 0.000 1.180 484 S CA -0.514 57.635 58.200 -0.084 0.000 1.075 484 S CB 0.783 63.997 63.200 0.024 0.000 0.996 484 S HN 0.631 nan 8.310 nan 0.000 0.487 485 S N 3.256 118.884 115.700 -0.119 0.000 2.436 485 S HA -0.072 4.398 4.470 -0.000 0.000 0.228 485 S C 2.130 176.742 174.600 0.019 0.000 1.014 485 S CA 1.152 59.416 58.200 0.107 0.000 0.950 485 S CB -0.264 62.999 63.200 0.106 0.000 0.784 485 S HN 0.921 nan 8.310 nan 0.000 0.504 486 S N 2.068 117.727 115.700 -0.068 0.000 2.357 486 S HA -0.062 4.407 4.470 -0.000 0.000 0.221 486 S C 1.923 176.520 174.600 -0.007 0.000 1.031 486 S CA 1.240 59.421 58.200 -0.032 0.000 0.982 486 S CB -0.508 62.667 63.200 -0.041 0.000 0.853 486 S HN 0.567 nan 8.310 nan 0.000 0.458 487 S N 0.145 115.844 115.700 -0.002 0.000 2.502 487 S HA 0.181 4.650 4.470 -0.000 0.000 0.215 487 S C 0.233 174.849 174.600 0.027 0.000 1.009 487 S CA 0.379 58.588 58.200 0.014 0.000 0.908 487 S CB -0.266 62.945 63.200 0.018 0.000 0.801 487 S HN 0.322 nan 8.310 nan 0.000 0.505 488 D N 1.052 121.480 120.400 0.048 0.000 3.012 488 D HA -0.118 4.522 4.640 -0.000 0.000 0.222 488 D C -0.397 175.955 176.300 0.087 0.000 1.167 488 D CA 0.965 55.024 54.000 0.098 0.000 0.854 488 D CB -1.152 39.698 40.800 0.083 0.000 1.107 488 D HN 0.585 nan 8.370 nan 0.000 0.421 489 K N 0.542 120.964 120.400 0.037 0.000 2.118 489 K HA 0.231 4.550 4.320 -0.000 0.000 0.264 489 K C 0.623 177.174 176.600 -0.082 0.000 1.000 489 K CA -0.405 55.885 56.287 0.004 0.000 0.929 489 K CB 1.184 33.678 32.500 -0.010 0.000 1.021 489 K HN 0.074 nan 8.250 nan 0.000 0.463 490 E N 3.949 124.052 120.200 -0.162 0.000 2.070 490 E HA -0.010 4.340 4.350 -0.000 0.000 0.282 490 E C 0.553 176.961 176.600 -0.320 0.000 1.104 490 E CA -0.355 55.742 56.400 -0.504 0.000 0.876 490 E CB 0.365 29.846 29.700 -0.365 0.000 1.055 490 E HN 0.412 nan 8.360 nan 0.000 0.401 491 L N 4.361 125.393 121.223 -0.318 0.000 2.217 491 L HA -0.013 4.327 4.340 -0.000 0.000 0.211 491 L C 1.054 177.824 176.870 -0.168 0.000 1.107 491 L CA 1.489 56.231 54.840 -0.164 0.000 0.783 491 L CB -1.538 40.468 42.059 -0.090 0.000 0.919 491 L HN 0.688 nan 8.230 nan 0.000 0.442 492 R N -2.623 117.730 120.500 -0.246 0.000 2.765 492 R HA 0.453 4.793 4.340 -0.000 0.000 0.277 492 R C -1.607 174.544 176.300 -0.248 0.000 1.028 492 R CA -0.799 55.175 56.100 -0.210 0.000 0.860 492 R CB 1.284 31.477 30.300 -0.179 0.000 1.270 492 R HN -0.282 nan 8.270 nan 0.000 0.484 493 V N 3.049 122.839 119.914 -0.208 0.000 2.333 493 V HA 0.228 4.348 4.120 -0.000 0.000 0.274 493 V C 1.203 177.125 176.094 -0.285 0.000 1.028 493 V CA -0.566 61.614 62.300 -0.200 0.000 0.851 493 V CB 1.046 32.790 31.823 -0.132 0.000 1.000 493 V HN 0.659 nan 8.190 nan 0.000 0.456 494 L N 2.357 123.330 121.223 -0.416 0.000 2.162 494 L HA 0.287 4.626 4.340 -0.000 0.000 0.205 494 L C 0.769 177.339 176.870 -0.499 0.000 1.086 494 L CA 0.786 55.155 54.840 -0.786 0.000 0.778 494 L CB 0.166 41.360 42.059 -1.441 0.000 0.928 494 L HN 0.661 nan 8.230 nan 0.000 0.446 495 E N 0.008 120.077 120.200 -0.219 0.000 2.343 495 E HA 0.097 4.447 4.350 -0.000 0.000 0.288 495 E C -1.178 175.438 176.600 0.027 0.000 0.907 495 E CA -0.380 55.992 56.400 -0.047 0.000 0.792 495 E CB 1.100 30.802 29.700 0.003 0.000 1.275 495 E HN 0.178 nan 8.360 nan 0.000 0.402 496 D N 2.797 123.193 120.400 -0.008 0.000 2.433 496 D HA 0.160 4.799 4.640 -0.000 0.000 0.211 496 D C -0.174 176.117 176.300 -0.015 0.000 1.114 496 D CA -0.242 53.748 54.000 -0.016 0.000 0.837 496 D CB 0.053 40.831 40.800 -0.038 0.000 0.984 496 D HN 0.419 nan 8.370 nan 0.000 0.505 497 N N 0.319 119.021 118.700 0.003 0.000 2.725 497 N HA -0.216 4.524 4.740 -0.000 0.000 0.249 497 N C 0.878 176.381 175.510 -0.012 0.000 1.103 497 N CA 0.939 53.990 53.050 0.001 0.000 0.707 497 N CB -1.332 37.155 38.487 -0.001 0.000 1.043 497 N HN 0.480 nan 8.380 nan 0.000 0.553 498 S N -1.212 114.480 115.700 -0.013 0.000 2.419 498 S HA -0.055 4.415 4.470 -0.000 0.000 0.233 498 S C 2.093 176.695 174.600 0.003 0.000 1.016 498 S CA 0.967 59.161 58.200 -0.011 0.000 0.974 498 S CB -0.121 63.072 63.200 -0.013 0.000 0.786 498 S HN 0.524 nan 8.310 nan 0.000 0.492 499 A N 1.890 124.713 122.820 0.005 0.000 1.902 499 A HA 0.065 4.384 4.320 -0.000 0.000 0.217 499 A C 2.202 179.809 177.584 0.037 0.000 1.181 499 A CA 1.541 53.586 52.037 0.013 0.000 0.623 499 A CB -0.807 18.195 19.000 0.003 0.000 0.818 499 A HN 0.493 nan 8.150 nan 0.000 0.443 500 L N 0.315 121.570 121.223 0.052 0.000 2.056 500 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 500 L C 1.910 178.843 176.870 0.105 0.000 1.078 500 L CA 2.701 57.606 54.840 0.109 0.000 0.749 500 L CB -0.750 41.375 42.059 0.111 0.000 0.901 500 L HN 0.528 nan 8.230 nan 0.000 0.433 501 D N -0.712 119.712 120.400 0.040 0.000 2.106 501 D HA -0.256 4.384 4.640 -0.000 0.000 0.191 501 D C 2.114 178.448 176.300 0.056 0.000 0.997 501 D CA 1.730 55.745 54.000 0.024 0.000 0.834 501 D CB 0.036 40.831 40.800 -0.008 0.000 0.956 501 D HN 0.281 nan 8.370 nan 0.000 0.448 502 K N -0.414 120.016 120.400 0.051 0.000 2.026 502 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 502 K C 2.267 178.920 176.600 0.088 0.000 1.048 502 K CA 1.244 57.563 56.287 0.054 0.000 0.929 502 K CB -0.300 32.221 32.500 0.035 0.000 0.713 502 K HN 0.316 nan 8.250 nan 0.000 0.439 503 M N 0.946 120.613 119.600 0.112 0.000 2.159 503 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 503 M C 1.691 178.189 176.300 0.330 0.000 1.063 503 M CA 1.488 56.887 55.300 0.165 0.000 1.110 503 M CB 0.067 32.736 32.600 0.115 0.000 1.374 503 M HN 0.058 nan 8.290 nan 0.000 0.411 504 L N -0.083 121.323 121.223 0.305 0.000 2.395 504 L HA -0.110 4.229 4.340 -0.000 0.000 0.218 504 L C 2.489 179.455 176.870 0.160 0.000 1.130 504 L CA 0.590 55.588 54.840 0.264 0.000 0.826 504 L CB -0.698 41.468 42.059 0.177 0.000 0.941 504 L HN 0.494 nan 8.230 nan 0.000 0.451 505 Q N -0.664 119.213 119.800 0.127 0.000 2.364 505 Q HA -0.218 4.122 4.340 -0.000 0.000 0.207 505 Q C 1.257 177.317 176.000 0.100 0.000 0.970 505 Q CA 1.344 57.202 55.803 0.091 0.000 0.888 505 Q CB -0.271 28.507 28.738 0.067 0.000 0.951 505 Q HN 0.389 nan 8.270 nan 0.000 0.469 506 D N 1.431 121.910 120.400 0.131 0.000 2.340 506 D HA 0.034 4.673 4.640 -0.000 0.000 0.220 506 D C -0.139 176.248 176.300 0.145 0.000 1.039 506 D CA 0.151 54.228 54.000 0.129 0.000 0.866 506 D CB 0.819 41.699 40.800 0.133 0.000 0.913 506 D HN 0.217 nan 8.370 nan 0.000 0.523 507 V N -1.592 118.409 119.914 0.145 0.000 2.823 507 V HA 0.458 4.577 4.120 -0.000 0.000 0.312 507 V C -0.586 175.542 176.094 0.057 0.000 1.072 507 V CA -0.992 61.380 62.300 0.120 0.000 0.937 507 V CB 1.930 33.837 31.823 0.140 0.000 1.013 507 V HN -0.197 nan 8.190 nan 0.000 0.430 508 Q N 4.492 124.308 119.800 0.027 0.000 2.452 508 Q HA 0.383 4.722 4.340 -0.000 0.000 0.230 508 Q C -0.357 175.613 176.000 -0.051 0.000 1.180 508 Q CA -0.223 55.556 55.803 -0.041 0.000 0.914 508 Q CB 0.665 29.338 28.738 -0.109 0.000 1.408 508 Q HN 0.649 nan 8.270 nan 0.000 0.520 509 M N 3.705 123.277 119.600 -0.047 0.000 2.255 509 M HA 0.347 4.827 4.480 -0.000 0.000 0.336 509 M C -1.959 174.286 176.300 -0.091 0.000 1.135 509 M CA -2.223 53.030 55.300 -0.079 0.000 1.145 509 M CB 0.061 32.626 32.600 -0.058 0.000 1.473 509 M HN 0.329 nan 8.290 nan 0.000 0.462 510 P HA 0.282 nan 4.420 nan 0.000 0.278 510 P C -1.051 176.179 177.300 -0.117 0.000 1.266 510 P CA -0.439 62.580 63.100 -0.134 0.000 0.807 510 P CB 0.798 32.396 31.700 -0.170 0.000 1.094 511 S N -0.857 114.763 115.700 -0.133 0.000 2.503 511 S HA 0.476 4.946 4.470 -0.000 0.000 0.301 511 S C -0.446 174.072 174.600 -0.137 0.000 1.087 511 S CA -0.846 57.290 58.200 -0.108 0.000 1.042 511 S CB 1.604 64.749 63.200 -0.091 0.000 1.043 511 S HN 0.461 nan 8.310 nan 0.000 0.489 512 K N 1.935 122.280 120.400 -0.092 0.000 2.293 512 K HA 0.369 4.689 4.320 -0.000 0.000 0.267 512 K C -0.841 175.717 176.600 -0.070 0.000 1.010 512 K CA -0.478 55.756 56.287 -0.087 0.000 0.875 512 K CB 0.765 33.230 32.500 -0.059 0.000 1.106 512 K HN 0.775 nan 8.250 nan 0.000 0.450 513 K N 4.979 125.322 120.400 -0.094 0.000 2.259 513 K HA 0.368 4.688 4.320 -0.000 0.000 0.252 513 K C -1.472 175.077 176.600 -0.085 0.000 0.936 513 K CA -0.784 55.455 56.287 -0.081 0.000 0.810 513 K CB 0.999 33.429 32.500 -0.116 0.000 1.143 513 K HN 0.382 nan 8.250 nan 0.000 0.427 514 L N 2.732 123.926 121.223 -0.050 0.000 2.346 514 L HA 0.545 4.885 4.340 -0.000 0.000 0.274 514 L C -0.428 176.392 176.870 -0.083 0.000 1.007 514 L CA -0.158 54.665 54.840 -0.029 0.000 0.818 514 L CB 1.789 43.943 42.059 0.158 0.000 1.284 514 L HN 0.843 nan 8.230 nan 0.000 0.424 515 D N 0.399 120.580 120.400 -0.364 0.000 2.851 515 D HA 0.608 5.247 4.640 -0.000 0.000 0.339 515 D C -1.724 174.237 176.300 -0.564 0.000 1.347 515 D CA -0.164 53.565 54.000 -0.451 0.000 0.888 515 D CB 2.013 42.584 40.800 -0.382 0.000 1.431 515 D HN 0.127 nan 8.370 nan 0.000 0.509 516 V N 1.003 120.686 119.914 -0.384 0.000 2.914 516 V HA 0.690 4.809 4.120 -0.000 0.000 0.314 516 V C -0.068 176.148 176.094 0.202 0.000 1.084 516 V CA -0.723 61.439 62.300 -0.230 0.000 0.963 516 V CB 1.799 33.227 31.823 -0.660 0.000 1.025 516 V HN 0.555 nan 8.190 nan 0.000 0.432 517 I N 0.033 120.782 120.570 0.299 0.000 3.042 517 I HA 0.716 4.886 4.170 -0.000 0.000 0.310 517 I C -1.062 175.160 176.117 0.176 0.000 1.117 517 I CA -0.900 60.531 61.300 0.218 0.000 1.003 517 I CB 2.660 40.745 38.000 0.142 0.000 1.228 517 I HN 0.451 nan 8.210 nan 0.000 0.443 518 N N 3.294 122.045 118.700 0.085 0.000 2.400 518 N HA 0.770 5.509 4.740 -0.000 0.000 0.288 518 N C -1.480 174.056 175.510 0.043 0.000 1.024 518 N CA -0.401 52.695 53.050 0.076 0.000 0.894 518 N CB 1.886 40.383 38.487 0.016 0.000 1.173 518 N HN 0.485 nan 8.380 nan 0.000 0.487 519 L N 2.264 123.556 121.223 0.116 0.000 2.455 519 L HA 0.411 4.751 4.340 -0.000 0.000 0.264 519 L C -0.388 176.419 176.870 -0.104 0.000 0.968 519 L CA -0.857 53.885 54.840 -0.164 0.000 0.827 519 L CB 1.777 43.705 42.059 -0.220 0.000 1.317 519 L HN 0.743 nan 8.230 nan 0.000 0.407 520 H N 1.432 120.565 119.070 0.106 0.000 2.822 520 H HA -0.208 4.348 4.556 -0.000 0.000 0.295 520 H C 1.232 176.596 175.328 0.059 0.000 1.151 520 H CA 0.965 57.056 56.048 0.070 0.000 1.151 520 H CB -1.492 28.318 29.762 0.080 0.000 1.343 520 H HN 1.120 nan 8.280 nan 0.000 0.382 521 G N -0.811 108.042 108.800 0.089 0.000 2.162 521 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.260 521 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.260 521 G C 0.317 175.230 174.900 0.021 0.000 0.976 521 G CA 0.768 45.897 45.100 0.048 0.000 0.655 521 G HN 0.691 nan 8.290 nan 0.000 0.533 522 T N 1.068 115.640 114.554 0.029 0.000 2.856 522 T HA 0.564 4.913 4.350 -0.000 0.000 0.283 522 T C 0.167 174.721 174.700 -0.243 0.000 1.008 522 T CA -0.376 61.624 62.100 -0.165 0.000 0.997 522 T CB 1.681 70.333 68.868 -0.360 0.000 0.992 522 T HN 0.578 nan 8.240 nan 0.000 0.454 523 K N 2.360 122.590 120.400 -0.284 0.000 2.234 523 K HA 0.549 4.869 4.320 -0.000 0.000 0.282 523 K C -1.344 175.060 176.600 -0.327 0.000 1.039 523 K CA -0.386 55.784 56.287 -0.195 0.000 0.928 523 K CB 0.555 32.957 32.500 -0.164 0.000 1.039 523 K HN 0.401 nan 8.250 nan 0.000 0.470 524 F N 1.495 121.517 119.950 0.118 0.000 2.563 524 F HA 0.380 4.907 4.527 -0.000 0.000 0.316 524 F C -0.646 175.274 175.800 0.200 0.000 1.076 524 F CA -0.912 57.200 58.000 0.188 0.000 0.921 524 F CB 1.309 40.438 39.000 0.215 0.000 1.209 524 F HN 0.513 nan 8.300 nan 0.000 0.462 525 W N 2.568 124.066 121.300 0.331 0.000 2.313 525 W HA 0.495 5.155 4.660 -0.000 0.000 0.328 525 W C -0.663 176.111 176.519 0.425 0.000 1.197 525 W CA -0.511 57.011 57.345 0.295 0.000 1.235 525 W CB 0.578 30.129 29.460 0.153 0.000 1.158 525 W HN 0.411 nan 8.180 nan 0.000 0.578 526 Y N -0.266 120.390 120.300 0.593 0.000 2.609 526 Y HA 0.700 5.250 4.550 -0.001 0.000 0.342 526 Y C -0.924 175.195 175.900 0.365 0.000 1.058 526 Y CA -1.815 56.621 58.100 0.560 0.000 1.055 526 Y CB 1.213 40.129 38.460 0.760 0.000 1.292 526 Y HN 0.568 nan 8.280 nan 0.000 0.476 527 Q N 2.077 122.100 119.800 0.371 0.000 2.421 527 Q HA 0.758 5.098 4.340 -0.000 0.000 0.280 527 Q C -1.820 174.281 176.000 0.168 0.000 1.085 527 Q CA -1.181 54.705 55.803 0.139 0.000 0.807 527 Q CB 3.353 32.161 28.738 0.117 0.000 1.405 527 Q HN 0.865 nan 8.270 nan 0.000 0.419 528 M N 2.178 121.797 119.600 0.032 0.000 2.326 528 M HA 0.441 4.921 4.480 -0.000 0.000 0.292 528 M C -1.386 174.838 176.300 -0.127 0.000 1.081 528 M CA -0.935 54.335 55.300 -0.050 0.000 0.919 528 M CB 2.297 34.832 32.600 -0.108 0.000 1.634 528 M HN 0.610 nan 8.290 nan 0.000 0.451 529 I N 4.950 125.440 120.570 -0.133 0.000 2.297 529 I HA 0.381 4.551 4.170 -0.000 0.000 0.291 529 I C -0.456 175.504 176.117 -0.261 0.000 1.033 529 I CA -0.353 60.844 61.300 -0.171 0.000 1.253 529 I CB 0.485 38.404 38.000 -0.136 0.000 1.396 529 I HN 0.624 nan 8.210 nan 0.000 0.476 530 L N 8.367 129.386 121.223 -0.340 0.000 2.295 530 L HA 0.449 4.789 4.340 -0.000 0.000 0.285 530 L C -2.189 174.485 176.870 -0.328 0.000 1.035 530 L CA -1.798 52.742 54.840 -0.501 0.000 0.806 530 L CB 1.145 42.725 42.059 -0.798 0.000 1.214 530 L HN 0.256 nan 8.230 nan 0.000 0.426 531 P HA 0.060 nan 4.420 nan 0.000 0.269 531 P C -2.465 174.801 177.300 -0.058 0.000 1.217 531 P CA -0.785 62.239 63.100 -0.125 0.000 0.783 531 P CB -0.144 31.540 31.700 -0.026 0.000 0.898 532 P HA -0.036 nan 4.420 nan 0.000 0.267 532 P C -0.484 176.807 177.300 -0.015 0.000 1.200 532 P CA 0.505 63.524 63.100 -0.135 0.000 0.772 532 P CB -0.336 31.180 31.700 -0.307 0.000 0.855 533 H N -1.012 118.103 119.070 0.076 0.000 2.626 533 H HA -0.223 4.333 4.556 -0.000 0.000 0.317 533 H C -0.086 175.321 175.328 0.133 0.000 1.140 533 H CA -0.676 55.422 56.048 0.084 0.000 1.134 533 H CB -1.811 27.991 29.762 0.065 0.000 1.486 533 H HN 0.339 nan 8.280 nan 0.000 0.417 534 F N 2.613 122.596 119.950 0.055 0.000 2.477 534 F HA -0.088 4.439 4.527 -0.000 0.000 0.392 534 F C 1.072 176.911 175.800 0.065 0.000 1.028 534 F CA 0.292 58.264 58.000 -0.046 0.000 1.069 534 F CB 0.106 38.985 39.000 -0.203 0.000 0.970 534 F HN 0.206 nan 8.300 nan 0.000 0.540 535 D N 4.040 124.408 120.400 -0.054 0.000 2.248 535 D HA -0.224 4.416 4.640 -0.000 0.000 0.245 535 D C 1.561 177.605 176.300 -0.427 0.000 1.217 535 D CA 3.352 57.271 54.000 -0.135 0.000 1.039 535 D CB 0.150 40.958 40.800 0.014 0.000 1.615 535 D HN 0.692 nan 8.370 nan 0.000 0.568 536 K N -3.720 116.374 120.400 -0.512 0.000 2.909 536 K HA 0.001 4.320 4.320 -0.000 0.000 0.281 536 K C 1.448 177.970 176.600 -0.130 0.000 2.963 536 K CA 0.489 56.534 56.287 -0.404 0.000 1.574 536 K CB -0.537 31.852 32.500 -0.186 0.000 3.180 536 K HN 0.144 nan 8.250 nan 0.000 0.307 537 S N 0.996 116.671 115.700 -0.041 0.000 2.502 537 S HA 0.169 4.639 4.470 -0.000 0.000 0.215 537 S C 0.520 175.142 174.600 0.037 0.000 1.009 537 S CA 0.182 58.404 58.200 0.036 0.000 0.908 537 S CB 0.026 63.230 63.200 0.007 0.000 0.801 537 S HN 0.301 nan 8.310 nan 0.000 0.505 538 K N 2.103 122.493 120.400 -0.016 0.000 2.469 538 K HA 0.007 4.327 4.320 -0.000 0.000 0.274 538 K C -0.753 175.842 176.600 -0.009 0.000 0.983 538 K CA 0.423 56.659 56.287 -0.085 0.000 0.974 538 K CB 0.338 32.706 32.500 -0.221 0.000 0.913 538 K HN 0.106 nan 8.250 nan 0.000 0.493 539 K N 3.646 123.995 120.400 -0.085 0.000 2.253 539 K HA 0.164 4.484 4.320 -0.000 0.000 0.277 539 K C -1.186 175.365 176.600 -0.080 0.000 1.053 539 K CA -0.445 55.846 56.287 0.006 0.000 0.892 539 K CB 0.688 33.170 32.500 -0.030 0.000 1.102 539 K HN 0.364 nan 8.250 nan 0.000 0.469 540 Y N 3.052 123.388 120.300 0.061 0.000 2.457 540 Y HA 0.287 4.837 4.550 -0.000 0.000 0.333 540 Y C -1.951 173.894 175.900 -0.093 0.000 1.119 540 Y CA -2.752 55.355 58.100 0.011 0.000 1.143 540 Y CB 0.811 39.334 38.460 0.105 0.000 1.230 540 Y HN 0.500 nan 8.280 nan 0.000 0.469 541 P HA 0.124 nan 4.420 nan 0.000 0.272 541 P C -0.991 176.175 177.300 -0.223 0.000 1.223 541 P CA -0.080 62.750 63.100 -0.450 0.000 0.784 541 P CB 1.519 32.593 31.700 -1.044 0.000 0.923 542 L N 2.929 124.051 121.223 -0.168 0.000 2.356 542 L HA 0.444 4.784 4.340 -0.000 0.000 0.277 542 L C -0.941 176.096 176.870 0.280 0.000 0.996 542 L CA -1.202 53.682 54.840 0.074 0.000 0.822 542 L CB 1.896 44.013 42.059 0.098 0.000 1.256 542 L HN 0.244 nan 8.230 nan 0.000 0.413 543 L N 5.959 127.361 121.223 0.299 0.000 2.305 543 L HA 0.523 4.862 4.340 -0.000 0.000 0.284 543 L C -0.779 176.319 176.870 0.380 0.000 1.013 543 L CA -0.215 54.863 54.840 0.397 0.000 0.819 543 L CB 1.385 43.636 42.059 0.320 0.000 1.227 543 L HN 0.337 nan 8.230 nan 0.000 0.417 544 I N 4.194 125.036 120.570 0.453 0.000 2.342 544 I HA 0.323 4.493 4.170 -0.000 0.000 0.291 544 I C 0.166 176.522 176.117 0.399 0.000 1.010 544 I CA -0.141 61.413 61.300 0.424 0.000 1.308 544 I CB 1.214 39.493 38.000 0.465 0.000 1.400 544 I HN 0.713 nan 8.210 nan 0.000 0.488 545 E N 6.019 126.420 120.200 0.335 0.000 2.133 545 E HA 0.509 4.858 4.350 -0.000 0.000 0.274 545 E C -1.551 175.116 176.600 0.112 0.000 0.930 545 E CA -0.433 56.075 56.400 0.181 0.000 0.770 545 E CB 1.993 31.873 29.700 0.300 0.000 1.104 545 E HN 0.423 nan 8.360 nan 0.000 0.403 546 V N 5.725 125.637 119.914 -0.003 0.000 2.823 546 V HA 0.397 4.517 4.120 -0.000 0.000 0.312 546 V C -1.153 175.035 176.094 0.156 0.000 1.072 546 V CA -0.297 62.076 62.300 0.121 0.000 0.937 546 V CB 1.748 33.656 31.823 0.143 0.000 1.013 546 V HN 0.948 nan 8.190 nan 0.000 0.430 547 Y N 4.813 125.170 120.300 0.095 0.000 3.154 547 Y HA 0.481 5.031 4.550 -0.001 0.000 0.179 547 Y C 1.595 177.626 175.900 0.220 0.000 0.900 547 Y CA 0.265 58.445 58.100 0.134 0.000 1.743 547 Y CB 0.550 39.071 38.460 0.102 0.000 1.362 547 Y HN 0.972 nan 8.280 nan 0.000 0.414 548 A N 1.249 124.130 122.820 0.100 0.000 2.979 548 A HA -0.197 4.123 4.320 -0.000 0.000 0.260 548 A C 0.658 178.075 177.584 -0.277 0.000 1.282 548 A CA 0.913 52.933 52.037 -0.029 0.000 0.971 548 A CB -2.525 16.593 19.000 0.196 0.000 1.124 548 A HN 0.837 nan 8.150 nan 0.000 0.826 549 G N -0.445 107.928 108.800 -0.711 0.000 2.651 549 G HA2 0.508 4.468 3.960 -0.000 0.000 0.260 549 G HA3 0.508 4.468 3.960 -0.000 0.000 0.260 549 G C -1.910 172.513 174.900 -0.795 0.000 1.216 549 G CA -0.640 43.605 45.100 -1.424 0.000 0.913 549 G HN 0.412 nan 8.290 nan 0.000 0.535 550 P HA 0.031 nan 4.420 nan 0.000 0.263 550 P C 0.606 177.689 177.300 -0.361 0.000 1.195 550 P CA 0.230 62.994 63.100 -0.559 0.000 0.762 550 P CB 0.819 31.853 31.700 -1.111 0.000 0.799 551 C N 2.259 121.417 119.300 -0.237 0.000 4.417 551 C HA -0.150 4.309 4.460 -0.000 0.000 0.284 551 C C 1.075 175.982 174.990 -0.139 0.000 1.379 551 C CA 1.145 59.995 59.018 -0.279 0.000 1.918 551 C CB -2.668 24.761 27.740 -0.518 0.000 1.280 551 C HN 0.819 nan 8.230 nan 0.000 0.783 552 S N 0.028 115.588 115.700 -0.234 0.000 2.614 552 S HA 0.519 4.989 4.470 -0.000 0.000 0.265 552 S C -0.541 174.021 174.600 -0.064 0.000 1.303 552 S CA 0.232 58.216 58.200 -0.361 0.000 1.000 552 S CB 1.565 64.052 63.200 -1.189 0.000 0.935 552 S HN 0.824 nan 8.310 nan 0.000 0.551 553 Q N 0.142 120.002 119.800 0.098 0.000 2.483 553 Q HA 0.336 4.675 4.340 -0.000 0.000 0.245 553 Q C -0.415 175.706 176.000 0.201 0.000 0.902 553 Q CA -0.630 55.294 55.803 0.202 0.000 0.767 553 Q CB 0.923 29.867 28.738 0.343 0.000 1.341 553 Q HN 0.610 nan 8.270 nan 0.000 0.453 554 K N 1.658 122.159 120.400 0.168 0.000 2.352 554 K HA 0.204 4.524 4.320 -0.000 0.000 0.194 554 K C -0.165 176.535 176.600 0.167 0.000 1.038 554 K CA 0.399 56.812 56.287 0.210 0.000 1.023 554 K CB 0.845 33.482 32.500 0.227 0.000 0.840 554 K HN 0.431 nan 8.250 nan 0.000 0.519 555 V N 3.785 123.793 119.914 0.158 0.000 2.364 555 V HA 0.185 4.305 4.120 -0.000 0.000 0.272 555 V C -0.476 175.671 176.094 0.088 0.000 1.036 555 V CA -0.703 61.686 62.300 0.148 0.000 0.880 555 V CB 1.093 33.048 31.823 0.219 0.000 0.991 555 V HN 0.304 nan 8.190 nan 0.000 0.460 556 D N 2.170 122.602 120.400 0.053 0.000 2.677 556 D HA 0.293 4.932 4.640 -0.000 0.000 0.298 556 D C 0.263 176.566 176.300 0.006 0.000 1.250 556 D CA -0.112 53.907 54.000 0.032 0.000 0.888 556 D CB 1.525 42.332 40.800 0.010 0.000 1.397 556 D HN 0.369 nan 8.370 nan 0.000 0.461 557 T N -1.978 112.603 114.554 0.044 0.000 3.251 557 T HA 0.388 4.738 4.350 -0.000 0.000 0.259 557 T C 0.176 174.870 174.700 -0.011 0.000 0.998 557 T CA -0.435 61.691 62.100 0.043 0.000 0.905 557 T CB -0.788 68.141 68.868 0.101 0.000 1.067 557 T HN 0.279 nan 8.240 nan 0.000 0.569 558 V N 2.401 122.214 119.914 -0.169 0.000 2.649 558 V HA 0.390 4.510 4.120 -0.000 0.000 0.292 558 V C 0.046 176.134 176.094 -0.010 0.000 1.055 558 V CA -1.048 61.140 62.300 -0.186 0.000 1.023 558 V CB 0.496 32.075 31.823 -0.407 0.000 0.992 558 V HN 0.625 nan 8.190 nan 0.000 0.480 559 F N 6.220 126.141 119.950 -0.048 0.000 2.420 559 F HA 0.590 5.117 4.527 -0.000 0.000 0.352 559 F C 0.410 176.205 175.800 -0.008 0.000 1.108 559 F CA -0.184 57.800 58.000 -0.026 0.000 1.162 559 F CB 0.280 39.278 39.000 -0.004 0.000 1.118 559 F HN 0.418 nan 8.300 nan 0.000 0.510 560 R N 5.710 125.752 120.500 -0.762 0.000 2.673 560 R HA 0.501 4.841 4.340 -0.000 0.000 0.281 560 R C -1.933 173.928 176.300 -0.732 0.000 0.991 560 R CA -1.247 54.522 56.100 -0.552 0.000 0.896 560 R CB 1.907 32.062 30.300 -0.242 0.000 1.201 560 R HN 0.464 nan 8.270 nan 0.000 0.457 561 L N 2.659 123.626 121.223 -0.427 0.000 2.297 561 L HA 0.359 4.699 4.340 -0.000 0.000 0.277 561 L C -0.107 176.739 176.870 -0.040 0.000 1.040 561 L CA 0.121 54.771 54.840 -0.317 0.000 0.867 561 L CB 0.659 42.702 42.059 -0.028 0.000 1.244 561 L HN 0.789 nan 8.230 nan 0.000 0.433 562 S N 1.247 116.833 115.700 -0.190 0.000 2.810 562 S HA 0.338 4.807 4.470 -0.000 0.000 0.315 562 S C 0.560 174.819 174.600 -0.567 0.000 1.138 562 S CA -0.691 57.347 58.200 -0.270 0.000 0.889 562 S CB 0.722 63.861 63.200 -0.102 0.000 1.236 562 S HN 0.493 nan 8.310 nan 0.000 0.548 563 W N 1.367 122.064 121.300 -1.006 0.000 2.338 563 W HA 0.014 4.674 4.660 -0.000 0.000 0.304 563 W C 2.418 178.846 176.519 -0.151 0.000 1.212 563 W CA 2.112 59.063 57.345 -0.657 0.000 1.264 563 W CB -1.070 28.170 29.460 -0.367 0.000 1.142 563 W HN 0.833 nan 8.180 nan 0.000 0.512 564 A N -0.430 122.322 122.820 -0.115 0.000 1.940 564 A HA -0.214 4.105 4.320 -0.000 0.000 0.219 564 A C 1.953 179.398 177.584 -0.231 0.000 1.176 564 A CA 2.511 54.426 52.037 -0.204 0.000 0.631 564 A CB -1.300 17.676 19.000 -0.039 0.000 0.814 564 A HN 0.304 nan 8.150 nan 0.000 0.446 565 T N -1.116 113.311 114.554 -0.211 0.000 2.684 565 T HA -0.228 4.121 4.350 -0.000 0.000 0.267 565 T C 1.822 176.470 174.700 -0.086 0.000 1.036 565 T CA 1.848 63.789 62.100 -0.264 0.000 1.148 565 T CB -0.512 68.019 68.868 -0.562 0.000 0.863 565 T HN 0.709 nan 8.240 nan 0.000 0.436 566 Y N 2.067 122.385 120.300 0.031 0.000 2.181 566 Y HA -0.016 4.533 4.550 -0.000 0.000 0.288 566 Y C 1.943 177.805 175.900 -0.063 0.000 1.146 566 Y CA 0.875 59.054 58.100 0.132 0.000 1.164 566 Y CB -0.789 37.758 38.460 0.146 0.000 0.982 566 Y HN 0.135 nan 8.280 nan 0.000 0.515 567 L N 0.261 120.984 121.223 -0.833 0.000 2.042 567 L HA -0.214 4.125 4.340 -0.000 0.000 0.210 567 L C 2.834 179.433 176.870 -0.451 0.000 1.076 567 L CA 1.370 55.694 54.840 -0.859 0.000 0.749 567 L CB -1.023 40.595 42.059 -0.736 0.000 0.893 567 L HN 0.409 nan 8.230 nan 0.000 0.432 568 A N -1.082 121.553 122.820 -0.308 0.000 1.874 568 A HA -0.175 4.145 4.320 -0.000 0.000 0.214 568 A C 2.518 180.014 177.584 -0.146 0.000 1.189 568 A CA 1.674 53.592 52.037 -0.198 0.000 0.615 568 A CB -0.670 18.213 19.000 -0.194 0.000 0.830 568 A HN 0.332 nan 8.150 nan 0.000 0.443 569 S N -0.943 114.680 115.700 -0.128 0.000 2.351 569 S HA -0.149 4.321 4.470 -0.000 0.000 0.220 569 S C 2.038 176.621 174.600 -0.027 0.000 1.035 569 S CA 2.449 60.617 58.200 -0.054 0.000 1.031 569 S CB -0.533 62.686 63.200 0.031 0.000 0.928 569 S HN 0.572 nan 8.310 nan 0.000 0.433 570 T N 1.333 115.868 114.554 -0.033 0.000 2.939 570 T HA 0.157 4.506 4.350 -0.000 0.000 0.254 570 T C 1.452 176.124 174.700 -0.046 0.000 1.041 570 T CA 0.708 62.815 62.100 0.012 0.000 1.142 570 T CB -0.124 68.849 68.868 0.176 0.000 0.874 570 T HN 0.354 nan 8.240 nan 0.000 0.452 571 E N 1.033 121.120 120.200 -0.187 0.000 2.474 571 E HA 0.160 4.510 4.350 -0.000 0.000 0.194 571 E C 0.078 176.654 176.600 -0.040 0.000 1.041 571 E CA -0.049 56.279 56.400 -0.120 0.000 0.874 571 E CB -0.148 29.419 29.700 -0.222 0.000 0.914 571 E HN 0.342 nan 8.360 nan 0.000 0.498 572 N N 0.373 119.059 118.700 -0.024 0.000 2.754 572 N HA -0.178 4.562 4.740 -0.000 0.000 0.248 572 N C -1.063 174.527 175.510 0.132 0.000 1.093 572 N CA 0.424 53.533 53.050 0.099 0.000 0.699 572 N CB -1.343 37.239 38.487 0.159 0.000 1.016 572 N HN 0.208 nan 8.380 nan 0.000 0.552 573 I N 0.580 121.147 120.570 -0.004 0.000 2.377 573 I HA 0.357 4.526 4.170 -0.000 0.000 0.293 573 I C 0.646 176.729 176.117 -0.057 0.000 0.987 573 I CA -0.798 60.500 61.300 -0.003 0.000 1.185 573 I CB 1.246 39.244 38.000 -0.003 0.000 1.341 573 I HN 0.007 nan 8.210 nan 0.000 0.455 574 I N 6.398 126.945 120.570 -0.039 0.000 2.441 574 I HA 0.183 4.352 4.170 -0.000 0.000 0.287 574 I C -0.428 175.671 176.117 -0.031 0.000 1.049 574 I CA -0.388 60.849 61.300 -0.104 0.000 1.381 574 I CB 1.091 39.036 38.000 -0.092 0.000 1.409 574 I HN 0.195 nan 8.210 nan 0.000 0.523 575 V N 6.580 126.464 119.914 -0.051 0.000 2.384 575 V HA 0.660 4.780 4.120 -0.000 0.000 0.287 575 V C 0.230 176.355 176.094 0.051 0.000 1.020 575 V CA -0.429 61.894 62.300 0.037 0.000 0.850 575 V CB 1.289 33.123 31.823 0.019 0.000 0.987 575 V HN 0.846 nan 8.190 nan 0.000 0.436 576 A N 3.974 126.866 122.820 0.120 0.000 2.380 576 A HA 0.965 5.284 4.320 -0.000 0.000 0.315 576 A C -0.283 177.463 177.584 0.271 0.000 1.101 576 A CA -0.518 51.594 52.037 0.124 0.000 0.771 576 A CB 1.902 20.874 19.000 -0.046 0.000 1.287 576 A HN 0.692 nan 8.150 nan 0.000 0.436 577 S N -0.385 115.515 115.700 0.333 0.000 2.569 577 S HA 0.801 5.271 4.470 -0.000 0.000 0.280 577 S C -1.554 173.391 174.600 0.575 0.000 1.111 577 S CA -0.315 58.123 58.200 0.397 0.000 0.887 577 S CB 1.457 64.829 63.200 0.287 0.000 1.095 577 S HN 0.907 nan 8.310 nan 0.000 0.476 578 F N 1.599 121.764 119.950 0.359 0.000 2.581 578 F HA 0.489 5.015 4.527 -0.000 0.000 0.311 578 F C -1.805 174.153 175.800 0.262 0.000 1.113 578 F CA -0.755 57.472 58.000 0.378 0.000 0.935 578 F CB 1.527 40.733 39.000 0.343 0.000 1.232 578 F HN 0.392 nan 8.300 nan 0.000 0.445 579 D N 4.273 124.357 120.400 -0.527 0.000 2.427 579 D HA 0.467 5.106 4.640 -0.000 0.000 0.226 579 D C 0.255 176.036 176.300 -0.865 0.000 1.076 579 D CA 0.130 53.879 54.000 -0.420 0.000 0.849 579 D CB 1.663 42.434 40.800 -0.049 0.000 1.052 579 D HN 0.794 nan 8.370 nan 0.000 0.515 580 G N 1.496 109.842 108.800 -0.756 0.000 2.940 580 G HA2 0.308 4.268 3.960 -0.000 0.000 0.164 580 G HA3 0.308 4.268 3.960 -0.000 0.000 0.164 580 G C 0.026 174.675 174.900 -0.419 0.000 1.326 580 G CA -0.665 43.914 45.100 -0.868 0.000 1.020 580 G HN 0.288 nan 8.290 nan 0.000 0.586 581 R N -0.443 119.865 120.500 -0.320 0.000 2.623 581 R HA 0.377 4.717 4.340 -0.000 0.000 0.271 581 R C 1.226 177.554 176.300 0.048 0.000 1.043 581 R CA 1.364 57.467 56.100 0.006 0.000 1.083 581 R CB 0.540 30.887 30.300 0.079 0.000 0.974 581 R HN 1.062 nan 8.270 nan 0.000 0.436 582 G N 1.102 109.948 108.800 0.076 0.000 2.268 582 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.240 582 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.240 582 G C 0.206 175.078 174.900 -0.047 0.000 1.010 582 G CA 0.242 45.363 45.100 0.035 0.000 0.618 582 G HN 0.731 nan 8.290 nan 0.000 0.516 583 S N 0.410 116.081 115.700 -0.049 0.000 2.589 583 S HA 0.639 5.109 4.470 -0.000 0.000 0.265 583 S C 0.875 175.423 174.600 -0.087 0.000 1.342 583 S CA 0.536 58.688 58.200 -0.080 0.000 1.005 583 S CB 1.690 64.864 63.200 -0.043 0.000 0.909 583 S HN 1.701 nan 8.310 nan 0.000 0.555 584 G N -1.050 107.670 108.800 -0.134 0.000 2.613 584 G HA2 0.503 4.463 3.960 -0.000 0.000 0.303 584 G HA3 0.503 4.463 3.960 -0.000 0.000 0.303 584 G C -0.956 173.826 174.900 -0.196 0.000 1.312 584 G CA -1.033 43.852 45.100 -0.359 0.000 1.036 584 G HN 0.950 nan 8.290 nan 0.000 0.513 585 Y N -2.367 117.933 120.300 0.001 0.000 4.604 585 Y HA -0.219 4.330 4.550 -0.001 0.000 0.230 585 Y C 1.397 177.323 175.900 0.043 0.000 1.066 585 Y CA 1.127 59.243 58.100 0.026 0.000 1.990 585 Y CB -2.103 36.392 38.460 0.058 0.000 1.619 585 Y HN 0.524 nan 8.280 nan 0.000 0.649 586 Q N 0.031 119.861 119.800 0.050 0.000 2.110 586 Q HA 0.506 4.846 4.340 -0.000 0.000 0.232 586 Q C 0.872 176.766 176.000 -0.177 0.000 0.810 586 Q CA 0.209 56.056 55.803 0.074 0.000 1.083 586 Q CB 1.568 30.368 28.738 0.104 0.000 1.193 586 Q HN 0.570 nan 8.270 nan 0.000 0.471 587 G N 0.734 109.300 108.800 -0.392 0.000 2.692 587 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.686 587 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.686 587 G C -0.423 174.124 174.900 -0.589 0.000 1.243 587 G CA -0.599 44.012 45.100 -0.815 0.000 0.782 587 G HN 0.130 nan 8.290 nan 0.000 0.625 588 D N 0.113 120.126 120.400 -0.644 0.000 2.218 588 D HA -0.079 4.561 4.640 -0.000 0.000 0.204 588 D C 2.210 178.199 176.300 -0.518 0.000 0.976 588 D CA 1.370 54.920 54.000 -0.750 0.000 0.853 588 D CB 0.048 40.379 40.800 -0.782 0.000 0.939 588 D HN 0.625 nan 8.370 nan 0.000 0.481 589 K N 0.615 120.799 120.400 -0.361 0.000 2.026 589 K HA -0.118 4.201 4.320 -0.000 0.000 0.208 589 K C 2.113 178.645 176.600 -0.112 0.000 1.048 589 K CA 0.892 57.066 56.287 -0.189 0.000 0.929 589 K CB -0.102 32.306 32.500 -0.153 0.000 0.713 589 K HN 0.109 nan 8.250 nan 0.000 0.439 590 I N 0.588 121.084 120.570 -0.124 0.000 2.233 590 I HA -0.234 3.936 4.170 -0.000 0.000 0.243 590 I C 2.688 178.800 176.117 -0.009 0.000 1.093 590 I CA 0.901 62.210 61.300 0.016 0.000 1.380 590 I CB -0.097 37.948 38.000 0.075 0.000 1.067 590 I HN 0.318 nan 8.210 nan 0.000 0.413 591 M N 0.126 119.634 119.600 -0.153 0.000 2.086 591 M HA -0.242 4.238 4.480 -0.000 0.000 0.261 591 M C 1.934 178.244 176.300 0.017 0.000 1.067 591 M CA 2.011 57.230 55.300 -0.135 0.000 1.116 591 M CB -0.329 32.074 32.600 -0.329 0.000 1.348 591 M HN 0.252 nan 8.290 nan 0.000 0.407 592 H N -0.643 118.311 119.070 -0.193 0.000 2.547 592 H HA 0.166 4.721 4.556 -0.000 0.000 0.266 592 H C 1.862 177.203 175.328 0.021 0.000 0.988 592 H CA 0.098 56.039 56.048 -0.178 0.000 1.147 592 H CB 0.120 29.681 29.762 -0.335 0.000 1.365 592 H HN 0.541 nan 8.280 nan 0.000 0.589 593 A N 1.550 124.478 122.820 0.179 0.000 1.978 593 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 593 A C 2.072 179.854 177.584 0.330 0.000 1.170 593 A CA 1.170 53.357 52.037 0.250 0.000 0.636 593 A CB -0.654 18.482 19.000 0.227 0.000 0.810 593 A HN 0.590 nan 8.150 nan 0.000 0.448 594 I N -3.043 117.671 120.570 0.241 0.000 3.861 594 I HA 0.146 4.316 4.170 -0.000 0.000 0.329 594 I C 0.400 176.563 176.117 0.077 0.000 1.321 594 I CA -0.461 60.904 61.300 0.108 0.000 1.126 594 I CB -0.615 37.422 38.000 0.061 0.000 1.018 594 I HN 0.210 nan 8.210 nan 0.000 0.407 595 N N 3.043 121.852 118.700 0.182 0.000 2.357 595 N HA -0.089 4.651 4.740 -0.000 0.000 0.257 595 N C 0.168 175.668 175.510 -0.017 0.000 1.250 595 N CA 0.311 53.471 53.050 0.183 0.000 0.862 595 N CB 0.335 38.906 38.487 0.140 0.000 1.066 595 N HN 0.412 nan 8.380 nan 0.000 0.468 596 R N 0.532 120.993 120.500 -0.065 0.000 3.946 596 R HA -0.203 4.137 4.340 -0.000 0.000 0.329 596 R C -0.286 175.865 176.300 -0.249 0.000 1.209 596 R CA 1.499 57.495 56.100 -0.173 0.000 0.909 596 R CB -1.462 28.725 30.300 -0.188 0.000 1.355 596 R HN 0.771 nan 8.270 nan 0.000 0.539 597 R N -0.374 120.015 120.500 -0.185 0.000 2.583 597 R HA 0.259 4.599 4.340 -0.000 0.000 0.282 597 R C -0.447 175.804 176.300 -0.081 0.000 1.288 597 R CA -0.695 55.334 56.100 -0.118 0.000 1.415 597 R CB 0.212 30.374 30.300 -0.229 0.000 1.331 597 R HN -0.038 nan 8.270 nan 0.000 0.719 598 L N 0.871 122.038 121.223 -0.094 0.000 2.483 598 L HA 0.255 4.594 4.340 -0.000 0.000 0.276 598 L C 1.255 178.284 176.870 0.266 0.000 1.213 598 L CA 1.423 56.281 54.840 0.030 0.000 0.843 598 L CB 0.602 42.509 42.059 -0.253 0.000 1.107 598 L HN 0.840 nan 8.230 nan 0.000 0.487 599 G N 0.803 109.843 108.800 0.401 0.000 2.175 599 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.244 599 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.244 599 G C 0.573 175.530 174.900 0.094 0.000 0.982 599 G CA 0.599 45.877 45.100 0.297 0.000 0.641 599 G HN 0.772 nan 8.290 nan 0.000 0.527 600 T N -2.407 112.168 114.554 0.035 0.000 3.555 600 T HA 0.445 4.795 4.350 -0.000 0.000 0.201 600 T C 1.772 176.506 174.700 0.057 0.000 0.850 600 T CA 1.149 63.212 62.100 -0.062 0.000 1.646 600 T CB -0.275 68.393 68.868 -0.333 0.000 1.774 600 T HN 0.124 nan 8.240 nan 0.000 0.447 601 F N 3.458 123.451 119.950 0.072 0.000 2.161 601 F HA 0.054 4.581 4.527 -0.000 0.000 0.300 601 F C 2.810 178.641 175.800 0.053 0.000 1.089 601 F CA 0.975 58.999 58.000 0.041 0.000 1.282 601 F CB -0.946 38.057 39.000 0.006 0.000 1.010 601 F HN 0.510 nan 8.300 nan 0.000 0.485 602 E N 0.820 121.167 120.200 0.245 0.000 2.150 602 E HA -0.131 4.219 4.350 -0.000 0.000 0.193 602 E C 2.124 178.827 176.600 0.173 0.000 0.985 602 E CA 1.531 58.041 56.400 0.183 0.000 0.814 602 E CB -1.074 28.734 29.700 0.179 0.000 0.752 602 E HN 0.296 nan 8.360 nan 0.000 0.466 603 V N 1.688 121.688 119.914 0.144 0.000 2.323 603 V HA -0.199 3.921 4.120 -0.000 0.000 0.244 603 V C 2.330 178.478 176.094 0.090 0.000 1.041 603 V CA 2.099 64.443 62.300 0.074 0.000 1.025 603 V CB -0.570 31.250 31.823 -0.006 0.000 0.656 603 V HN 0.212 nan 8.190 nan 0.000 0.451 604 E N 0.106 120.384 120.200 0.130 0.000 2.110 604 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 604 E C 1.883 178.556 176.600 0.122 0.000 0.988 604 E CA 1.457 57.937 56.400 0.133 0.000 0.804 604 E CB -0.166 29.650 29.700 0.194 0.000 0.745 604 E HN 0.576 nan 8.360 nan 0.000 0.458 605 D N 0.294 120.789 120.400 0.157 0.000 2.183 605 D HA -0.117 4.523 4.640 -0.000 0.000 0.203 605 D C 1.957 178.300 176.300 0.072 0.000 0.969 605 D CA 0.679 54.766 54.000 0.144 0.000 0.842 605 D CB -0.062 40.873 40.800 0.225 0.000 0.957 605 D HN 0.109 nan 8.370 nan 0.000 0.484 606 Q N 0.230 120.117 119.800 0.146 0.000 2.079 606 Q HA -0.047 4.293 4.340 -0.000 0.000 0.200 606 Q C 2.565 178.605 176.000 0.068 0.000 0.974 606 Q CA 0.577 56.463 55.803 0.138 0.000 0.840 606 Q CB -0.135 28.700 28.738 0.162 0.000 0.898 606 Q HN 0.418 nan 8.270 nan 0.000 0.430 607 I N 0.773 121.400 120.570 0.096 0.000 2.142 607 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 607 I C 2.540 178.618 176.117 -0.065 0.000 1.078 607 I CA 1.294 62.675 61.300 0.135 0.000 1.343 607 I CB -0.320 37.758 38.000 0.130 0.000 1.046 607 I HN 0.269 nan 8.210 nan 0.000 0.405 608 E N 1.244 121.369 120.200 -0.125 0.000 2.110 608 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 608 E C 2.245 178.571 176.600 -0.457 0.000 0.988 608 E CA 1.311 57.572 56.400 -0.231 0.000 0.804 608 E CB -0.006 29.583 29.700 -0.185 0.000 0.745 608 E HN 0.492 nan 8.360 nan 0.000 0.458 609 A N 0.164 122.571 122.820 -0.689 0.000 1.898 609 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 609 A C 2.358 179.123 177.584 -1.364 0.000 1.181 609 A CA 1.869 53.152 52.037 -1.256 0.000 0.620 609 A CB -0.815 17.037 19.000 -1.913 0.000 0.819 609 A HN 0.315 nan 8.150 nan 0.000 0.442 610 T N -0.876 113.236 114.554 -0.736 0.000 2.867 610 T HA -0.107 4.243 4.350 -0.000 0.000 0.268 610 T C 2.024 176.507 174.700 -0.362 0.000 1.057 610 T CA 1.416 63.270 62.100 -0.410 0.000 1.136 610 T CB -0.180 68.654 68.868 -0.057 0.000 0.874 610 T HN 0.519 nan 8.240 nan 0.000 0.466 611 R N 0.817 121.101 120.500 -0.359 0.000 2.075 611 R HA -0.043 4.297 4.340 -0.000 0.000 0.232 611 R C 2.562 178.702 176.300 -0.266 0.000 1.126 611 R CA 1.263 57.202 56.100 -0.269 0.000 0.963 611 R CB -0.063 30.105 30.300 -0.220 0.000 0.858 611 R HN 0.464 nan 8.270 nan 0.000 0.435 612 Q N -0.828 118.750 119.800 -0.369 0.000 2.167 612 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 612 Q C 1.799 177.691 176.000 -0.181 0.000 0.970 612 Q CA 1.073 56.700 55.803 -0.292 0.000 0.855 612 Q CB 0.012 28.538 28.738 -0.352 0.000 0.911 612 Q HN 0.290 nan 8.270 nan 0.000 0.438 613 F N 0.905 120.689 119.950 -0.277 0.000 2.146 613 F HA -0.168 4.359 4.527 -0.001 0.000 0.298 613 F C 2.764 178.394 175.800 -0.284 0.000 1.096 613 F CA 1.326 59.156 58.000 -0.283 0.000 1.275 613 F CB -1.255 37.608 39.000 -0.228 0.000 1.008 613 F HN 0.076 nan 8.300 nan 0.000 0.480 614 S N 0.862 116.531 115.700 -0.052 0.000 2.423 614 S HA -0.215 4.255 4.470 -0.000 0.000 0.231 614 S C 1.919 176.427 174.600 -0.154 0.000 1.014 614 S CA 1.114 59.242 58.200 -0.120 0.000 0.965 614 S CB -0.783 62.337 63.200 -0.134 0.000 0.785 614 S HN 0.626 nan 8.310 nan 0.000 0.495 615 K N 0.990 121.301 120.400 -0.147 0.000 2.097 615 K HA 0.002 4.322 4.320 -0.000 0.000 0.205 615 K C 0.867 177.367 176.600 -0.168 0.000 1.050 615 K CA 0.514 56.720 56.287 -0.136 0.000 0.938 615 K CB -0.554 31.876 32.500 -0.115 0.000 0.718 615 K HN 0.387 nan 8.250 nan 0.000 0.442 616 M N 1.553 121.009 119.600 -0.240 0.000 2.252 616 M HA 0.010 4.489 4.480 -0.000 0.000 0.329 616 M C 1.368 177.398 176.300 -0.450 0.000 1.101 616 M CA 0.425 55.501 55.300 -0.374 0.000 1.117 616 M CB 0.770 32.987 32.600 -0.638 0.000 1.563 616 M HN 0.357 nan 8.290 nan 0.000 0.445 617 G N 1.883 110.509 108.800 -0.291 0.000 2.598 617 G HA2 -0.096 3.863 3.960 -0.000 0.000 0.215 617 G HA3 -0.096 3.863 3.960 -0.000 0.000 0.215 617 G C 0.737 175.594 174.900 -0.071 0.000 1.131 617 G CA 0.227 45.242 45.100 -0.141 0.000 0.785 617 G HN 0.807 nan 8.290 nan 0.000 0.539 618 F N -0.290 119.724 119.950 0.108 0.000 2.732 618 F HA 0.560 5.087 4.527 -0.001 0.000 0.303 618 F C 0.054 175.980 175.800 0.210 0.000 1.110 618 F CA -1.343 56.766 58.000 0.181 0.000 1.355 618 F CB -0.301 38.877 39.000 0.296 0.000 1.081 618 F HN -0.196 nan 8.300 nan 0.000 0.565 619 V N 1.723 121.613 119.914 -0.041 0.000 2.427 619 V HA 0.174 4.294 4.120 -0.000 0.000 0.286 619 V C -0.609 175.475 176.094 -0.016 0.000 1.034 619 V CA -0.779 61.532 62.300 0.017 0.000 0.893 619 V CB 1.460 33.228 31.823 -0.091 0.000 0.982 619 V HN 0.081 nan 8.190 nan 0.000 0.452 620 D N 3.767 124.161 120.400 -0.011 0.000 2.422 620 D HA 0.072 4.712 4.640 -0.000 0.000 0.227 620 D C 1.234 177.489 176.300 -0.075 0.000 1.190 620 D CA -0.405 53.560 54.000 -0.058 0.000 0.905 620 D CB 0.840 41.586 40.800 -0.089 0.000 1.034 620 D HN 0.702 nan 8.370 nan 0.000 0.507 621 D N 3.001 123.358 120.400 -0.072 0.000 2.311 621 D HA -0.218 4.422 4.640 -0.000 0.000 0.212 621 D C 0.708 176.972 176.300 -0.060 0.000 0.972 621 D CA 0.674 54.627 54.000 -0.079 0.000 0.887 621 D CB 0.162 40.911 40.800 -0.084 0.000 0.915 621 D HN 0.449 nan 8.370 nan 0.000 0.497 622 K N -0.050 120.322 120.400 -0.046 0.000 2.459 622 K HA 0.120 4.440 4.320 -0.000 0.000 0.193 622 K C 0.667 177.276 176.600 0.016 0.000 1.030 622 K CA 0.137 56.414 56.287 -0.016 0.000 1.026 622 K CB 0.484 32.974 32.500 -0.017 0.000 0.809 622 K HN -0.005 nan 8.250 nan 0.000 0.504 623 R N 1.293 121.776 120.500 -0.028 0.000 2.644 623 R HA 0.358 4.698 4.340 -0.000 0.000 0.271 623 R C -1.079 175.213 176.300 -0.014 0.000 1.687 623 R CA -0.117 55.972 56.100 -0.019 0.000 1.655 623 R CB 0.717 30.825 30.300 -0.319 0.000 1.285 623 R HN -0.005 nan 8.270 nan 0.000 0.643 624 I N 1.219 121.913 120.570 0.206 0.000 2.436 624 I HA 0.616 4.786 4.170 -0.000 0.000 0.289 624 I C -0.099 176.316 176.117 0.496 0.000 1.010 624 I CA -0.815 60.634 61.300 0.248 0.000 1.098 624 I CB 1.990 39.976 38.000 -0.024 0.000 1.266 624 I HN 0.369 nan 8.210 nan 0.000 0.434 625 A N 6.911 130.114 122.820 0.638 0.000 2.435 625 A HA 0.934 5.254 4.320 -0.000 0.000 0.296 625 A C -1.248 176.686 177.584 0.583 0.000 1.147 625 A CA -0.649 51.728 52.037 0.567 0.000 0.775 625 A CB 2.292 21.496 19.000 0.341 0.000 1.340 625 A HN 0.728 nan 8.150 nan 0.000 0.427 626 I N 0.356 121.184 120.570 0.430 0.000 2.752 626 I HA 0.701 4.871 4.170 -0.000 0.000 0.295 626 I C -1.920 174.442 176.117 0.408 0.000 1.219 626 I CA -0.537 60.958 61.300 0.324 0.000 1.030 626 I CB 1.665 39.596 38.000 -0.115 0.000 1.259 626 I HN 0.944 nan 8.210 nan 0.000 0.423 627 W N 7.060 128.484 121.300 0.207 0.000 3.118 627 W HA 0.862 5.521 4.660 -0.001 0.000 0.328 627 W C -1.418 175.239 176.519 0.230 0.000 1.239 627 W CA -0.889 56.586 57.345 0.216 0.000 1.176 627 W CB 1.108 30.745 29.460 0.295 0.000 1.433 627 W HN 0.845 nan 8.180 nan 0.000 0.562 628 G N 0.600 109.303 108.800 -0.161 0.000 2.523 628 G HA2 0.455 4.415 3.960 -0.000 0.000 0.291 628 G HA3 0.455 4.415 3.960 -0.000 0.000 0.291 628 G C -2.828 171.980 174.900 -0.154 0.000 1.450 628 G CA -0.755 44.062 45.100 -0.471 0.000 0.790 628 G HN 0.620 nan 8.290 nan 0.000 0.496 629 W N 0.840 121.940 121.300 -0.334 0.000 2.736 629 W HA 0.587 5.246 4.660 -0.001 0.000 0.335 629 W C 0.782 177.232 176.519 -0.115 0.000 1.059 629 W CA 0.448 57.685 57.345 -0.180 0.000 1.226 629 W CB 1.697 31.036 29.460 -0.201 0.000 1.416 629 W HN 1.111 nan 8.180 nan 0.000 0.505 630 S N 1.810 117.674 115.700 0.273 0.000 4.114 630 S HA -0.428 4.042 4.470 -0.000 0.000 0.618 630 S C 0.849 175.557 174.600 0.180 0.000 1.937 630 S CA 1.685 60.036 58.200 0.252 0.000 4.228 630 S CB -1.555 61.840 63.200 0.325 0.000 0.216 630 S HN 0.749 nan 8.310 nan 0.000 0.528 631 Y N 2.885 123.278 120.300 0.156 0.000 2.165 631 Y HA -0.038 4.512 4.550 -0.001 0.000 0.286 631 Y C 2.471 178.554 175.900 0.305 0.000 1.155 631 Y CA 2.313 60.586 58.100 0.287 0.000 1.164 631 Y CB -1.016 37.703 38.460 0.433 0.000 0.978 631 Y HN 0.553 nan 8.280 nan 0.000 0.513 632 G N -1.108 107.937 108.800 0.408 0.000 2.448 632 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.219 632 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.219 632 G C 1.875 176.848 174.900 0.123 0.000 1.127 632 G CA 0.776 46.026 45.100 0.250 0.000 0.766 632 G HN 0.584 nan 8.290 nan 0.000 0.552 633 G N -0.233 108.632 108.800 0.109 0.000 2.394 633 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.215 633 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.215 633 G C 1.580 176.534 174.900 0.090 0.000 1.165 633 G CA 0.983 46.128 45.100 0.074 0.000 0.784 633 G HN 0.401 nan 8.290 nan 0.000 0.535 634 Y N 1.504 121.748 120.300 -0.093 0.000 2.145 634 Y HA -0.133 4.416 4.550 -0.000 0.000 0.286 634 Y C 2.728 178.572 175.900 -0.094 0.000 1.145 634 Y CA 1.621 59.615 58.100 -0.177 0.000 1.148 634 Y CB -0.506 37.707 38.460 -0.411 0.000 0.981 634 Y HN 0.027 nan 8.280 nan 0.000 0.507 635 V N -0.295 119.533 119.914 -0.144 0.000 2.343 635 V HA -0.313 3.807 4.120 -0.000 0.000 0.247 635 V C 2.334 178.343 176.094 -0.142 0.000 1.051 635 V CA 2.399 64.596 62.300 -0.173 0.000 1.036 635 V CB -1.190 30.693 31.823 0.100 0.000 0.654 635 V HN 0.487 nan 8.190 nan 0.000 0.451 636 T N -0.016 114.510 114.554 -0.046 0.000 2.665 636 T HA -0.207 4.142 4.350 -0.000 0.000 0.268 636 T C 2.124 176.779 174.700 -0.075 0.000 1.035 636 T CA 2.068 64.141 62.100 -0.045 0.000 1.151 636 T CB -0.268 68.651 68.868 0.085 0.000 0.862 636 T HN 0.533 nan 8.240 nan 0.000 0.438 637 S N 0.933 116.627 115.700 -0.010 0.000 2.368 637 S HA 0.002 4.472 4.470 -0.000 0.000 0.224 637 S C 2.116 176.647 174.600 -0.115 0.000 1.029 637 S CA 0.855 59.077 58.200 0.037 0.000 0.988 637 S CB -0.248 63.034 63.200 0.137 0.000 0.838 637 S HN 0.309 nan 8.310 nan 0.000 0.462 638 M N 1.003 120.448 119.600 -0.258 0.000 2.159 638 M HA -0.013 4.467 4.480 -0.000 0.000 0.263 638 M C 2.212 178.363 176.300 -0.247 0.000 1.063 638 M CA 1.035 56.163 55.300 -0.287 0.000 1.110 638 M CB -1.476 30.849 32.600 -0.459 0.000 1.374 638 M HN 0.168 nan 8.290 nan 0.000 0.411 639 V N 0.708 120.465 119.914 -0.262 0.000 2.295 639 V HA -0.252 3.868 4.120 -0.000 0.000 0.246 639 V C 2.540 178.441 176.094 -0.322 0.000 1.049 639 V CA 1.475 63.612 62.300 -0.270 0.000 1.024 639 V CB -0.669 30.915 31.823 -0.399 0.000 0.648 639 V HN 0.394 nan 8.190 nan 0.000 0.447 640 L N 0.445 121.407 121.223 -0.436 0.000 2.083 640 L HA -0.081 4.258 4.340 -0.000 0.000 0.209 640 L C 2.406 178.814 176.870 -0.770 0.000 1.083 640 L CA 1.622 56.127 54.840 -0.559 0.000 0.752 640 L CB -0.934 40.700 42.059 -0.710 0.000 0.899 640 L HN 0.487 nan 8.230 nan 0.000 0.433 641 G N -0.955 107.363 108.800 -0.804 0.000 2.848 641 G HA2 0.052 4.012 3.960 -0.000 0.000 0.208 641 G HA3 0.052 4.012 3.960 -0.000 0.000 0.208 641 G C 1.522 176.280 174.900 -0.236 0.000 1.152 641 G CA 0.553 45.319 45.100 -0.556 0.000 0.789 641 G HN 0.426 nan 8.290 nan 0.000 0.531 642 A N -0.030 122.669 122.820 -0.201 0.000 2.169 642 A HA 0.449 4.769 4.320 -0.000 0.000 0.212 642 A C 2.031 179.580 177.584 -0.059 0.000 1.153 642 A CA 1.155 53.136 52.037 -0.094 0.000 0.756 642 A CB -0.396 18.570 19.000 -0.058 0.000 0.813 642 A HN 1.444 nan 8.150 nan 0.000 0.471 643 G N 0.217 108.970 108.800 -0.077 0.000 2.295 643 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.287 643 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.287 643 G C 0.859 175.754 174.900 -0.007 0.000 1.055 643 G CA 1.128 46.205 45.100 -0.039 0.000 0.922 643 G HN 1.409 nan 8.290 nan 0.000 0.503 644 S N -1.255 114.455 115.700 0.018 0.000 2.528 644 S HA 0.376 4.846 4.470 -0.000 0.000 0.219 644 S C 2.345 176.952 174.600 0.012 0.000 0.985 644 S CA 1.273 59.490 58.200 0.030 0.000 0.914 644 S CB 0.167 63.414 63.200 0.079 0.000 0.776 644 S HN 2.344 nan 8.310 nan 0.000 0.526 645 G N 0.472 109.284 108.800 0.021 0.000 2.189 645 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.267 645 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.267 645 G C 0.744 175.625 174.900 -0.033 0.000 0.975 645 G CA 0.480 45.580 45.100 0.001 0.000 0.644 645 G HN 0.655 nan 8.290 nan 0.000 0.537 646 V N -0.631 119.244 119.914 -0.064 0.000 2.535 646 V HA 0.298 4.418 4.120 -0.000 0.000 0.246 646 V C 1.156 176.997 176.094 -0.422 0.000 1.045 646 V CA 1.356 63.477 62.300 -0.299 0.000 1.058 646 V CB -0.300 31.213 31.823 -0.517 0.000 0.689 646 V HN 0.288 nan 8.190 nan 0.000 0.461 647 F N 0.179 120.145 119.950 0.028 0.000 2.420 647 F HA 0.403 4.930 4.527 -0.000 0.000 0.342 647 F C 1.129 176.975 175.800 0.076 0.000 1.113 647 F CA -0.538 57.504 58.000 0.070 0.000 1.059 647 F CB 1.331 40.372 39.000 0.070 0.000 1.128 647 F HN -0.231 nan 8.300 nan 0.000 0.475 648 K N 1.751 122.309 120.400 0.264 0.000 2.116 648 K HA 0.075 4.394 4.320 -0.000 0.000 0.203 648 K C -0.109 176.618 176.600 0.213 0.000 1.052 648 K CA 0.972 57.379 56.287 0.200 0.000 0.952 648 K CB 0.229 32.848 32.500 0.199 0.000 0.729 648 K HN 0.812 nan 8.250 nan 0.000 0.446 649 c N -2.971 115.793 118.600 0.274 0.000 3.321 649 c HA 0.889 5.459 4.570 -0.000 0.000 0.329 649 c C -0.225 174.088 174.090 0.371 0.000 1.394 649 c CA -0.662 55.852 56.329 0.308 0.000 1.291 649 c CB 1.112 43.743 42.510 0.202 0.000 1.606 649 c HN 0.344 nan 8.230 nan 0.000 0.463 650 G N -0.080 108.998 108.800 0.463 0.000 2.646 650 G HA2 0.740 4.700 3.960 -0.000 0.000 0.291 650 G HA3 0.740 4.700 3.960 -0.000 0.000 0.291 650 G C -2.029 173.085 174.900 0.357 0.000 1.445 650 G CA -0.712 44.631 45.100 0.404 0.000 0.814 650 G HN 1.008 nan 8.290 nan 0.000 0.495 651 I N 0.536 121.278 120.570 0.287 0.000 2.499 651 I HA 0.632 4.802 4.170 -0.000 0.000 0.288 651 I C 0.085 176.309 176.117 0.178 0.000 1.048 651 I CA -0.968 60.372 61.300 0.067 0.000 1.062 651 I CB 2.290 40.305 38.000 0.025 0.000 1.238 651 I HN 0.683 nan 8.210 nan 0.000 0.426 652 A N 6.161 128.985 122.820 0.008 0.000 2.331 652 A HA 0.839 5.159 4.320 -0.000 0.000 0.320 652 A C -0.909 176.595 177.584 -0.134 0.000 1.138 652 A CA -0.539 51.526 52.037 0.047 0.000 0.790 652 A CB 1.426 20.525 19.000 0.166 0.000 1.206 652 A HN 0.431 nan 8.150 nan 0.000 0.470 653 V N 1.895 121.682 119.914 -0.210 0.000 2.448 653 V HA 0.585 4.705 4.120 -0.000 0.000 0.295 653 V C 0.869 176.561 176.094 -0.669 0.000 1.025 653 V CA 0.306 62.261 62.300 -0.575 0.000 0.859 653 V CB 0.935 32.127 31.823 -1.051 0.000 0.988 653 V HN 2.184 nan 8.190 nan 0.000 0.431 654 A N 5.502 127.891 122.820 -0.718 0.000 2.511 654 A HA -0.103 4.217 4.320 -0.000 0.000 0.297 654 A C -1.710 175.704 177.584 -0.283 0.000 1.476 654 A CA 0.498 52.025 52.037 -0.850 0.000 0.757 654 A CB -1.590 17.091 19.000 -0.532 0.000 1.072 654 A HN 0.610 nan 8.150 nan 0.000 0.413 655 P HA 0.400 nan 4.420 nan 0.000 0.277 655 P C 0.213 177.478 177.300 -0.057 0.000 1.240 655 P CA -0.150 62.928 63.100 -0.036 0.000 0.798 655 P CB 1.289 33.002 31.700 0.021 0.000 0.979 656 V N 2.346 122.133 119.914 -0.211 0.000 2.686 656 V HA 0.084 4.204 4.120 -0.000 0.000 0.295 656 V C 1.675 177.570 176.094 -0.333 0.000 1.055 656 V CA 1.002 63.017 62.300 -0.475 0.000 1.050 656 V CB 0.851 32.004 31.823 -1.117 0.000 0.984 656 V HN 0.850 nan 8.190 nan 0.000 0.482 657 S N 2.810 118.340 115.700 -0.284 0.000 2.593 657 S HA 0.303 4.773 4.470 -0.000 0.000 0.235 657 S C 0.269 174.718 174.600 -0.253 0.000 1.059 657 S CA -0.255 57.862 58.200 -0.139 0.000 0.953 657 S CB 0.276 63.452 63.200 -0.040 0.000 0.897 657 S HN 0.659 nan 8.310 nan 0.000 0.507 658 K N -0.370 119.760 120.400 -0.450 0.000 2.589 658 K HA 0.288 4.608 4.320 -0.000 0.000 0.253 658 K C -1.044 175.236 176.600 -0.534 0.000 0.974 658 K CA -0.662 55.315 56.287 -0.517 0.000 0.835 658 K CB 0.617 32.696 32.500 -0.701 0.000 1.272 658 K HN 0.140 nan 8.250 nan 0.000 0.444 659 W N 2.230 123.465 121.300 -0.108 0.000 2.364 659 W HA -0.108 4.552 4.660 -0.001 0.000 0.281 659 W C 1.225 177.876 176.519 0.219 0.000 1.219 659 W CA 0.857 58.224 57.345 0.037 0.000 1.220 659 W CB 0.265 29.683 29.460 -0.070 0.000 1.127 659 W HN 0.743 nan 8.180 nan 0.000 0.556 660 E N -1.053 119.312 120.200 0.276 0.000 2.401 660 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 660 E C 1.218 177.947 176.600 0.215 0.000 1.023 660 E CA 0.813 57.320 56.400 0.179 0.000 0.859 660 E CB -0.241 29.450 29.700 -0.014 0.000 0.780 660 E HN 0.389 nan 8.360 nan 0.000 0.523 661 Y N -1.530 118.860 120.300 0.151 0.000 2.523 661 Y HA 0.071 4.620 4.550 -0.001 0.000 0.279 661 Y C 0.686 176.689 175.900 0.171 0.000 1.139 661 Y CA -0.339 57.819 58.100 0.097 0.000 1.296 661 Y CB -0.374 38.081 38.460 -0.007 0.000 1.045 661 Y HN 0.015 nan 8.280 nan 0.000 0.538 662 Y N 1.945 122.397 120.300 0.253 0.000 2.408 662 Y HA 0.285 4.835 4.550 -0.000 0.000 0.324 662 Y C 0.338 176.458 175.900 0.367 0.000 1.302 662 Y CA -2.103 56.158 58.100 0.268 0.000 1.384 662 Y CB 0.339 38.982 38.460 0.305 0.000 1.367 662 Y HN 0.192 nan 8.280 nan 0.000 0.525 663 D N -0.653 119.490 120.400 -0.429 0.000 2.362 663 D HA 0.100 4.740 4.640 -0.000 0.000 0.242 663 D C 0.969 177.240 176.300 -0.048 0.000 1.132 663 D CA 0.347 54.136 54.000 -0.351 0.000 0.907 663 D CB 0.889 41.215 40.800 -0.791 0.000 1.195 663 D HN 0.478 nan 8.370 nan 0.000 0.429 664 S N 1.166 116.846 115.700 -0.034 0.000 2.353 664 S HA -0.239 4.231 4.470 -0.000 0.000 0.222 664 S C 1.910 176.539 174.600 0.048 0.000 1.035 664 S CA 1.278 59.514 58.200 0.059 0.000 1.025 664 S CB -1.048 62.189 63.200 0.062 0.000 0.902 664 S HN 0.434 nan 8.310 nan 0.000 0.440 665 V N 0.855 120.738 119.914 -0.052 0.000 2.255 665 V HA -0.179 3.940 4.120 -0.000 0.000 0.247 665 V C 2.336 178.369 176.094 -0.102 0.000 1.051 665 V CA 2.293 64.490 62.300 -0.171 0.000 1.018 665 V CB -1.119 30.445 31.823 -0.432 0.000 0.641 665 V HN 0.608 nan 8.190 nan 0.000 0.445 666 Y N 1.349 121.598 120.300 -0.084 0.000 2.153 666 Y HA -0.202 4.347 4.550 -0.001 0.000 0.289 666 Y C 2.722 178.655 175.900 0.055 0.000 1.127 666 Y CA 2.218 60.351 58.100 0.055 0.000 1.131 666 Y CB -0.685 37.991 38.460 0.360 0.000 0.995 666 Y HN 0.234 nan 8.280 nan 0.000 0.505 667 T N 0.385 115.211 114.554 0.453 0.000 2.684 667 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 667 T C 1.595 176.299 174.700 0.008 0.000 1.036 667 T CA 1.979 64.273 62.100 0.324 0.000 1.148 667 T CB -0.315 68.871 68.868 0.529 0.000 0.863 667 T HN 0.442 nan 8.240 nan 0.000 0.436 668 E N 0.477 120.693 120.200 0.026 0.000 2.204 668 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 668 E C 2.364 178.838 176.600 -0.210 0.000 0.989 668 E CA 0.461 56.853 56.400 -0.013 0.000 0.824 668 E CB -0.111 29.622 29.700 0.055 0.000 0.756 668 E HN 0.304 nan 8.360 nan 0.000 0.477 669 R N 0.015 120.248 120.500 -0.444 0.000 2.103 669 R HA -0.207 4.133 4.340 -0.000 0.000 0.242 669 R C 1.301 177.053 176.300 -0.913 0.000 1.142 669 R CA 1.705 57.350 56.100 -0.757 0.000 0.960 669 R CB -0.046 29.463 30.300 -1.317 0.000 0.858 669 R HN 0.239 nan 8.270 nan 0.000 0.439 670 Y N -2.519 117.457 120.300 -0.540 0.000 2.507 670 Y HA 0.221 4.771 4.550 -0.000 0.000 0.263 670 Y C 1.595 177.278 175.900 -0.361 0.000 1.093 670 Y CA 0.063 57.822 58.100 -0.567 0.000 1.285 670 Y CB 0.460 38.452 38.460 -0.781 0.000 1.115 670 Y HN -0.026 nan 8.280 nan 0.000 0.533 671 M N -0.491 118.977 119.600 -0.221 0.000 2.308 671 M HA 0.375 4.854 4.480 -0.000 0.000 0.269 671 M C 1.029 177.327 176.300 -0.003 0.000 1.040 671 M CA 0.707 55.875 55.300 -0.221 0.000 1.024 671 M CB -0.216 32.053 32.600 -0.552 0.000 1.465 671 M HN 0.318 nan 8.290 nan 0.000 0.517 672 G N 1.902 110.721 108.800 0.030 0.000 2.645 672 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.239 672 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.239 672 G C -0.495 174.538 174.900 0.222 0.000 1.331 672 G CA -0.726 44.432 45.100 0.097 0.000 0.890 672 G HN 0.356 nan 8.290 nan 0.000 0.572 673 L N 1.894 123.208 121.223 0.151 0.000 2.334 673 L HA 0.438 4.777 4.340 -0.000 0.000 0.277 673 L C -1.400 175.447 176.870 -0.038 0.000 1.075 673 L CA -1.731 53.150 54.840 0.067 0.000 0.804 673 L CB 1.806 43.873 42.059 0.013 0.000 1.174 673 L HN 0.457 nan 8.230 nan 0.000 0.438 674 P HA 0.075 nan 4.420 nan 0.000 0.218 674 P C -0.551 176.599 177.300 -0.251 0.000 1.793 674 P CA -0.148 62.538 63.100 -0.690 0.000 0.941 674 P CB -0.344 30.608 31.700 -1.246 0.000 1.919 675 T N -2.793 111.702 114.554 -0.098 0.000 2.912 675 T HA 0.447 4.797 4.350 -0.000 0.000 0.288 675 T C -1.919 172.782 174.700 0.002 0.000 1.030 675 T CA -2.479 59.595 62.100 -0.043 0.000 1.020 675 T CB 1.952 70.803 68.868 -0.028 0.000 1.056 675 T HN -0.191 nan 8.240 nan 0.000 0.480 676 P HA -0.069 nan 4.420 nan 0.000 0.221 676 P C 0.563 177.881 177.300 0.030 0.000 1.145 676 P CA 1.057 64.172 63.100 0.025 0.000 0.795 676 P CB 0.142 31.852 31.700 0.016 0.000 0.775 677 E N -1.006 119.205 120.200 0.020 0.000 2.435 677 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 677 E C 1.297 177.913 176.600 0.027 0.000 1.029 677 E CA 0.507 56.919 56.400 0.020 0.000 0.865 677 E CB -0.206 29.499 29.700 0.009 0.000 0.833 677 E HN 0.301 nan 8.360 nan 0.000 0.510 678 D N -0.402 120.021 120.400 0.038 0.000 3.112 678 D HA 0.095 4.735 4.640 -0.000 0.000 0.212 678 D C 0.063 176.416 176.300 0.088 0.000 1.376 678 D CA -0.081 53.950 54.000 0.052 0.000 1.411 678 D CB -0.104 40.725 40.800 0.050 0.000 0.965 678 D HN -0.003 nan 8.370 nan 0.000 0.192 679 N N 0.295 119.082 118.700 0.145 0.000 2.351 679 N HA 0.046 4.786 4.740 -0.000 0.000 0.254 679 N C 1.277 177.004 175.510 0.362 0.000 1.241 679 N CA -0.129 53.059 53.050 0.231 0.000 0.883 679 N CB 0.744 39.363 38.487 0.220 0.000 1.202 679 N HN 0.023 nan 8.380 nan 0.000 0.512 680 L N 1.277 122.632 121.223 0.219 0.000 2.043 680 L HA -0.195 4.145 4.340 -0.000 0.000 0.212 680 L C 1.384 178.394 176.870 0.234 0.000 1.075 680 L CA 2.019 56.967 54.840 0.178 0.000 0.752 680 L CB -0.534 41.557 42.059 0.053 0.000 0.891 680 L HN 0.175 nan 8.230 nan 0.000 0.432 681 D N -1.203 119.320 120.400 0.206 0.000 2.116 681 D HA -0.255 4.385 4.640 -0.000 0.000 0.193 681 D C 2.054 178.417 176.300 0.105 0.000 0.998 681 D CA 1.853 55.938 54.000 0.141 0.000 0.836 681 D CB -0.368 40.514 40.800 0.137 0.000 0.951 681 D HN 0.466 nan 8.370 nan 0.000 0.449 682 Y N -0.901 119.464 120.300 0.107 0.000 2.516 682 Y HA -0.049 4.501 4.550 -0.001 0.000 0.291 682 Y C 1.958 177.908 175.900 0.084 0.000 1.131 682 Y CA 0.284 58.421 58.100 0.062 0.000 1.281 682 Y CB -0.331 38.127 38.460 -0.003 0.000 1.013 682 Y HN 0.063 nan 8.280 nan 0.000 0.554 683 Y N -0.417 119.994 120.300 0.185 0.000 2.184 683 Y HA -0.178 4.371 4.550 -0.000 0.000 0.290 683 Y C 2.728 178.692 175.900 0.106 0.000 1.129 683 Y CA 1.523 59.724 58.100 0.168 0.000 1.144 683 Y CB -0.228 38.307 38.460 0.126 0.000 0.995 683 Y HN -0.089 nan 8.280 nan 0.000 0.513 684 R N 0.984 121.621 120.500 0.229 0.000 2.091 684 R HA -0.174 4.166 4.340 -0.000 0.000 0.238 684 R C 1.242 177.571 176.300 0.048 0.000 1.136 684 R CA 1.799 57.961 56.100 0.102 0.000 0.959 684 R CB -0.325 30.011 30.300 0.060 0.000 0.856 684 R HN 0.424 nan 8.270 nan 0.000 0.437 685 N N -0.216 118.489 118.700 0.009 0.000 2.251 685 N HA -0.039 4.701 4.740 -0.000 0.000 0.217 685 N C -0.145 175.376 175.510 0.019 0.000 1.124 685 N CA 0.457 53.493 53.050 -0.024 0.000 0.843 685 N CB 0.899 39.322 38.487 -0.106 0.000 1.024 685 N HN 0.182 nan 8.380 nan 0.000 0.501 686 S N -1.572 114.189 115.700 0.101 0.000 2.593 686 S HA 0.082 4.552 4.470 -0.000 0.000 0.236 686 S C 0.588 175.331 174.600 0.239 0.000 0.991 686 S CA -0.412 57.911 58.200 0.205 0.000 0.963 686 S CB -0.613 62.785 63.200 0.330 0.000 0.865 686 S HN 0.347 nan 8.310 nan 0.000 0.488 687 T N -0.894 113.728 114.554 0.113 0.000 2.882 687 T HA 0.474 4.824 4.350 -0.000 0.000 0.287 687 T C 1.327 176.062 174.700 0.058 0.000 1.014 687 T CA -0.511 61.621 62.100 0.052 0.000 1.049 687 T CB 1.207 70.058 68.868 -0.029 0.000 1.001 687 T HN -0.043 nan 8.240 nan 0.000 0.525 688 V N 1.644 121.581 119.914 0.039 0.000 2.548 688 V HA -0.101 4.018 4.120 -0.000 0.000 0.249 688 V C 2.583 178.656 176.094 -0.035 0.000 1.055 688 V CA 1.402 63.706 62.300 0.006 0.000 1.065 688 V CB -0.990 30.822 31.823 -0.018 0.000 0.681 688 V HN 0.805 nan 8.190 nan 0.000 0.462 689 M N 1.238 120.800 119.600 -0.064 0.000 2.149 689 M HA -0.164 4.316 4.480 -0.000 0.000 0.261 689 M C 2.361 178.635 176.300 -0.043 0.000 1.064 689 M CA 2.093 57.343 55.300 -0.084 0.000 1.102 689 M CB -1.014 31.546 32.600 -0.068 0.000 1.369 689 M HN 0.526 nan 8.290 nan 0.000 0.408 690 S N -0.206 115.484 115.700 -0.017 0.000 2.469 690 S HA -0.113 4.357 4.470 -0.000 0.000 0.238 690 S C 1.771 176.378 174.600 0.011 0.000 0.998 690 S CA 0.875 59.073 58.200 -0.004 0.000 0.957 690 S CB -0.434 62.765 63.200 -0.001 0.000 0.764 690 S HN 0.555 nan 8.310 nan 0.000 0.514 691 R N 0.177 120.697 120.500 0.033 0.000 2.468 691 R HA 0.477 4.817 4.340 -0.000 0.000 0.280 691 R C 2.081 178.481 176.300 0.165 0.000 0.963 691 R CA 0.396 56.541 56.100 0.075 0.000 1.083 691 R CB -0.099 30.247 30.300 0.076 0.000 1.200 691 R HN 0.450 nan 8.270 nan 0.000 0.541 692 A N 1.560 124.427 122.820 0.077 0.000 1.903 692 A HA -0.307 4.012 4.320 -0.000 0.000 0.219 692 A C 2.028 179.693 177.584 0.135 0.000 1.191 692 A CA 2.061 54.119 52.037 0.036 0.000 0.638 692 A CB -0.287 18.667 19.000 -0.077 0.000 0.823 692 A HN 0.302 nan 8.150 nan 0.000 0.451 693 E N 0.371 120.624 120.200 0.088 0.000 2.118 693 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 693 E C 1.679 178.335 176.600 0.094 0.000 0.992 693 E CA 1.870 58.317 56.400 0.079 0.000 0.804 693 E CB -0.517 29.211 29.700 0.046 0.000 0.741 693 E HN 0.791 nan 8.360 nan 0.000 0.458 694 N N -1.217 117.532 118.700 0.083 0.000 2.453 694 N HA -0.092 4.647 4.740 -0.000 0.000 0.183 694 N C 0.841 176.340 175.510 -0.019 0.000 1.041 694 N CA 0.253 53.309 53.050 0.011 0.000 0.900 694 N CB -0.124 38.328 38.487 -0.057 0.000 0.961 694 N HN 0.147 nan 8.380 nan 0.000 0.443 695 F N 1.542 121.451 119.950 -0.068 0.000 2.546 695 F HA -0.003 4.524 4.527 -0.000 0.000 0.298 695 F C 1.884 177.692 175.800 0.013 0.000 1.120 695 F CA 0.790 58.745 58.000 -0.074 0.000 1.456 695 F CB 0.030 38.933 39.000 -0.161 0.000 1.088 695 F HN -0.091 nan 8.300 nan 0.000 0.572 696 K N -0.278 120.228 120.400 0.176 0.000 2.442 696 K HA -0.140 4.179 4.320 -0.000 0.000 0.198 696 K C 1.459 178.121 176.600 0.105 0.000 1.044 696 K CA 0.687 57.058 56.287 0.141 0.000 0.948 696 K CB -0.079 32.484 32.500 0.105 0.000 0.762 696 K HN 0.250 nan 8.250 nan 0.000 0.472 697 Q N 0.081 119.921 119.800 0.067 0.000 2.360 697 Q HA 0.045 4.385 4.340 -0.000 0.000 0.202 697 Q C 0.692 176.731 176.000 0.064 0.000 0.915 697 Q CA 0.283 56.116 55.803 0.050 0.000 0.943 697 Q CB 0.446 29.195 28.738 0.019 0.000 1.064 697 Q HN 0.203 nan 8.270 nan 0.000 0.511 698 V N -3.143 116.824 119.914 0.088 0.000 3.141 698 V HA 0.548 4.668 4.120 -0.000 0.000 0.312 698 V C -0.804 175.428 176.094 0.229 0.000 1.157 698 V CA -1.284 61.094 62.300 0.130 0.000 1.041 698 V CB 2.378 34.243 31.823 0.070 0.000 1.071 698 V HN -0.063 nan 8.190 nan 0.000 0.441 699 E N 1.276 121.641 120.200 0.275 0.000 2.109 699 E HA 0.450 4.800 4.350 -0.000 0.000 0.278 699 E C -1.888 175.077 176.600 0.608 0.000 0.954 699 E CA -0.344 56.286 56.400 0.383 0.000 0.779 699 E CB 1.740 31.589 29.700 0.249 0.000 1.093 699 E HN 0.681 nan 8.360 nan 0.000 0.401 700 Y N 3.488 124.052 120.300 0.441 0.000 2.393 700 Y HA 0.444 4.993 4.550 -0.001 0.000 0.341 700 Y C -1.493 174.498 175.900 0.152 0.000 0.988 700 Y CA -1.177 57.129 58.100 0.343 0.000 1.078 700 Y CB 1.016 39.726 38.460 0.417 0.000 1.203 700 Y HN 0.428 nan 8.280 nan 0.000 0.453 701 L N 8.019 128.926 121.223 -0.527 0.000 2.343 701 L HA 0.481 4.820 4.340 -0.000 0.000 0.278 701 L C -1.866 174.521 176.870 -0.806 0.000 0.996 701 L CA -1.130 53.264 54.840 -0.744 0.000 0.831 701 L CB 1.400 42.697 42.059 -1.270 0.000 1.232 701 L HN 0.700 nan 8.230 nan 0.000 0.413 702 L N 6.737 127.578 121.223 -0.638 0.000 2.305 702 L HA 0.619 4.959 4.340 -0.000 0.000 0.284 702 L C -0.937 175.796 176.870 -0.227 0.000 1.013 702 L CA 0.015 54.556 54.840 -0.499 0.000 0.819 702 L CB 1.336 43.165 42.059 -0.383 0.000 1.227 702 L HN 0.412 nan 8.230 nan 0.000 0.417 703 I N 4.820 125.270 120.570 -0.200 0.000 2.569 703 I HA 0.497 4.667 4.170 -0.000 0.000 0.296 703 I C -0.993 175.102 176.117 -0.037 0.000 1.028 703 I CA -0.773 60.459 61.300 -0.113 0.000 1.082 703 I CB 1.877 39.764 38.000 -0.189 0.000 1.264 703 I HN 0.566 nan 8.210 nan 0.000 0.429 704 H N 2.698 121.815 119.070 0.079 0.000 3.086 704 H HA 0.355 4.911 4.556 -0.000 0.000 0.353 704 H C -0.777 174.758 175.328 0.345 0.000 1.134 704 H CA -0.533 55.619 56.048 0.174 0.000 1.248 704 H CB 2.447 32.313 29.762 0.174 0.000 1.878 704 H HN 0.773 nan 8.280 nan 0.000 0.527 705 G N 1.063 110.176 108.800 0.521 0.000 2.390 705 G HA2 0.225 4.185 3.960 -0.000 0.000 0.270 705 G HA3 0.225 4.185 3.960 -0.000 0.000 0.270 705 G C 1.119 176.228 174.900 0.349 0.000 1.211 705 G CA 0.200 45.551 45.100 0.419 0.000 0.842 705 G HN 0.644 nan 8.290 nan 0.000 0.519 706 T N -0.719 113.882 114.554 0.079 0.000 3.035 706 T HA 0.085 4.435 4.350 -0.000 0.000 0.268 706 T C 1.679 176.304 174.700 -0.125 0.000 1.109 706 T CA 1.239 63.176 62.100 -0.271 0.000 1.119 706 T CB 0.172 68.809 68.868 -0.384 0.000 0.900 706 T HN 0.669 nan 8.240 nan 0.000 0.503 707 A N 0.940 123.789 122.820 0.048 0.000 2.610 707 A HA 0.307 4.627 4.320 -0.000 0.000 0.286 707 A C 0.427 177.983 177.584 -0.046 0.000 1.306 707 A CA -0.504 51.572 52.037 0.065 0.000 0.942 707 A CB -0.246 19.076 19.000 0.536 0.000 1.112 707 A HN 0.382 nan 8.150 nan 0.000 0.527 708 D N 1.573 121.952 120.400 -0.035 0.000 2.346 708 D HA -0.003 4.636 4.640 -0.000 0.000 0.260 708 D C 0.293 176.549 176.300 -0.073 0.000 1.252 708 D CA 0.131 54.209 54.000 0.131 0.000 0.895 708 D CB 0.708 41.736 40.800 0.380 0.000 1.097 708 D HN 0.548 nan 8.370 nan 0.000 0.489 709 D N 2.326 122.753 120.400 0.044 0.000 2.349 709 D HA -0.122 4.518 4.640 -0.000 0.000 0.215 709 D C 0.855 177.130 176.300 -0.042 0.000 1.016 709 D CA -0.076 53.902 54.000 -0.036 0.000 0.870 709 D CB 0.489 41.235 40.800 -0.090 0.000 0.917 709 D HN 0.234 nan 8.370 nan 0.000 0.524 710 N N 0.714 119.461 118.700 0.079 0.000 2.530 710 N HA -0.035 4.704 4.740 -0.000 0.000 0.216 710 N C -0.129 175.310 175.510 -0.119 0.000 1.031 710 N CA 0.383 53.508 53.050 0.125 0.000 1.063 710 N CB 0.604 39.130 38.487 0.064 0.000 1.346 710 N HN -0.119 nan 8.380 nan 0.000 0.515 711 V N 3.204 123.033 119.914 -0.143 0.000 2.304 711 V HA 0.215 4.335 4.120 -0.000 0.000 0.269 711 V C -0.532 175.579 176.094 0.028 0.000 1.036 711 V CA -0.424 61.849 62.300 -0.045 0.000 0.840 711 V CB -0.371 31.462 31.823 0.017 0.000 1.036 711 V HN 0.293 nan 8.190 nan 0.000 0.466 712 H N 3.349 122.369 119.070 -0.084 0.000 2.972 712 H HA -0.037 4.519 4.556 -0.000 0.000 0.343 712 H C 0.827 175.982 175.328 -0.288 0.000 1.054 712 H CA -0.005 55.910 56.048 -0.222 0.000 1.412 712 H CB 0.730 30.276 29.762 -0.360 0.000 1.385 712 H HN 0.636 nan 8.280 nan 0.000 0.600 713 F N 2.123 121.838 119.950 -0.391 0.000 2.192 713 F HA -0.307 4.220 4.527 -0.001 0.000 0.301 713 F C 2.556 178.047 175.800 -0.514 0.000 1.079 713 F CA 1.812 59.377 58.000 -0.724 0.000 1.303 713 F CB -0.226 38.539 39.000 -0.392 0.000 1.024 713 F HN 0.664 nan 8.300 nan 0.000 0.494 714 Q N 0.190 119.817 119.800 -0.289 0.000 2.156 714 Q HA -0.319 4.020 4.340 -0.000 0.000 0.211 714 Q C 2.094 177.810 176.000 -0.473 0.000 0.995 714 Q CA 2.353 57.933 55.803 -0.372 0.000 0.877 714 Q CB -0.357 28.155 28.738 -0.376 0.000 0.920 714 Q HN 0.600 nan 8.270 nan 0.000 0.416 715 Q N -0.365 119.207 119.800 -0.380 0.000 2.061 715 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 715 Q C 2.252 178.129 176.000 -0.206 0.000 0.984 715 Q CA 1.765 57.467 55.803 -0.168 0.000 0.846 715 Q CB -0.122 28.603 28.738 -0.021 0.000 0.902 715 Q HN 0.335 nan 8.270 nan 0.000 0.421 716 S N 0.573 116.041 115.700 -0.387 0.000 2.414 716 S HA -0.001 4.469 4.470 -0.000 0.000 0.227 716 S C 2.012 176.347 174.600 -0.442 0.000 1.022 716 S CA 0.702 58.695 58.200 -0.345 0.000 0.958 716 S CB -0.056 62.960 63.200 -0.306 0.000 0.797 716 S HN 0.461 nan 8.310 nan 0.000 0.493 717 A N 1.383 123.813 122.820 -0.651 0.000 1.902 717 A HA -0.113 4.206 4.320 -0.000 0.000 0.217 717 A C 2.135 179.587 177.584 -0.221 0.000 1.181 717 A CA 1.087 52.861 52.037 -0.440 0.000 0.623 717 A CB -0.424 18.340 19.000 -0.393 0.000 0.818 717 A HN 0.339 nan 8.150 nan 0.000 0.443 718 Q N -1.016 118.665 119.800 -0.198 0.000 2.172 718 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 718 Q C 2.087 178.040 176.000 -0.078 0.000 0.964 718 Q CA 1.239 56.993 55.803 -0.080 0.000 0.855 718 Q CB -0.460 28.300 28.738 0.038 0.000 0.918 718 Q HN 0.607 nan 8.270 nan 0.000 0.444 719 L N 1.052 122.204 121.223 -0.119 0.000 2.027 719 L HA -0.137 4.202 4.340 -0.000 0.000 0.206 719 L C 2.350 179.072 176.870 -0.246 0.000 1.074 719 L CA 2.351 57.086 54.840 -0.175 0.000 0.745 719 L CB -1.002 40.953 42.059 -0.173 0.000 0.898 719 L HN 0.206 nan 8.230 nan 0.000 0.433 720 S N -0.795 114.785 115.700 -0.200 0.000 2.382 720 S HA -0.298 4.171 4.470 -0.000 0.000 0.228 720 S C 2.145 176.732 174.600 -0.022 0.000 1.027 720 S CA 1.462 59.580 58.200 -0.137 0.000 0.991 720 S CB -0.721 62.554 63.200 0.125 0.000 0.823 720 S HN 0.564 nan 8.310 nan 0.000 0.469 721 K N 1.682 122.063 120.400 -0.032 0.000 2.057 721 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 721 K C 2.248 178.834 176.600 -0.023 0.000 1.049 721 K CA 1.206 57.491 56.287 -0.003 0.000 0.931 721 K CB -0.642 31.848 32.500 -0.018 0.000 0.714 721 K HN 0.470 nan 8.250 nan 0.000 0.440 722 A N 0.850 123.625 122.820 -0.076 0.000 1.929 722 A HA -0.051 4.268 4.320 -0.000 0.000 0.216 722 A C 2.049 179.568 177.584 -0.108 0.000 1.176 722 A CA 1.001 52.988 52.037 -0.083 0.000 0.628 722 A CB -0.459 18.479 19.000 -0.102 0.000 0.816 722 A HN 0.301 nan 8.150 nan 0.000 0.444 723 L N -0.666 120.432 121.223 -0.208 0.000 2.056 723 L HA -0.147 4.192 4.340 -0.000 0.000 0.207 723 L C 2.525 179.424 176.870 0.049 0.000 1.078 723 L CA 0.974 55.676 54.840 -0.230 0.000 0.749 723 L CB -0.571 41.050 42.059 -0.729 0.000 0.901 723 L HN 0.238 nan 8.230 nan 0.000 0.433 724 V N -0.179 119.823 119.914 0.146 0.000 2.261 724 V HA -0.296 3.824 4.120 -0.000 0.000 0.246 724 V C 2.069 178.216 176.094 0.089 0.000 1.047 724 V CA 1.951 64.361 62.300 0.184 0.000 1.015 724 V CB -0.504 31.416 31.823 0.162 0.000 0.642 724 V HN 0.425 nan 8.190 nan 0.000 0.446 725 D N 0.430 120.858 120.400 0.047 0.000 2.221 725 D HA -0.126 4.514 4.640 -0.000 0.000 0.204 725 D C 1.887 178.204 176.300 0.028 0.000 0.982 725 D CA 1.567 55.585 54.000 0.029 0.000 0.857 725 D CB -0.169 40.638 40.800 0.012 0.000 0.934 725 D HN 0.493 nan 8.370 nan 0.000 0.475 726 A N -0.595 122.241 122.820 0.027 0.000 2.275 726 A HA 0.439 4.759 4.320 -0.000 0.000 0.212 726 A C 1.675 179.291 177.584 0.054 0.000 1.201 726 A CA 0.850 52.905 52.037 0.030 0.000 0.843 726 A CB -0.068 18.941 19.000 0.015 0.000 0.873 726 A HN 0.207 nan 8.150 nan 0.000 0.492 727 G N -0.963 107.880 108.800 0.072 0.000 2.160 727 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.244 727 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.244 727 G C 0.045 175.014 174.900 0.116 0.000 1.022 727 G CA 0.181 45.331 45.100 0.083 0.000 0.741 727 G HN 0.799 nan 8.290 nan 0.000 0.508 728 V N 0.506 120.515 119.914 0.158 0.000 2.465 728 V HA 0.500 4.619 4.120 -0.000 0.000 0.279 728 V C 0.412 176.717 176.094 0.351 0.000 1.045 728 V CA -0.430 62.003 62.300 0.222 0.000 0.938 728 V CB 1.732 33.667 31.823 0.187 0.000 0.986 728 V HN 0.388 nan 8.190 nan 0.000 0.467 729 D N 3.794 124.361 120.400 0.279 0.000 2.210 729 D HA 0.658 5.297 4.640 -0.000 0.000 0.249 729 D C -0.619 175.911 176.300 0.384 0.000 1.062 729 D CA 0.032 54.165 54.000 0.222 0.000 0.891 729 D CB 0.958 41.819 40.800 0.103 0.000 1.186 729 D HN 0.349 nan 8.370 nan 0.000 0.432 730 F N -0.523 119.509 119.950 0.136 0.000 2.877 730 F HA 0.488 5.015 4.527 -0.001 0.000 0.319 730 F C -1.326 174.537 175.800 0.105 0.000 1.174 730 F CA -1.079 57.030 58.000 0.180 0.000 0.903 730 F CB 0.707 39.858 39.000 0.251 0.000 1.357 730 F HN 0.207 nan 8.300 nan 0.000 0.472 731 Q N 0.144 120.014 119.800 0.116 0.000 2.351 731 Q HA 0.755 5.095 4.340 -0.000 0.000 0.273 731 Q C -1.278 174.721 176.000 -0.003 0.000 1.077 731 Q CA -1.114 54.667 55.803 -0.036 0.000 0.843 731 Q CB 2.566 31.332 28.738 0.046 0.000 1.367 731 Q HN 0.785 nan 8.270 nan 0.000 0.449 732 T N 1.141 115.661 114.554 -0.057 0.000 2.906 732 T HA 0.695 5.045 4.350 -0.000 0.000 0.295 732 T C -1.664 172.962 174.700 -0.123 0.000 1.075 732 T CA -0.586 61.500 62.100 -0.023 0.000 1.005 732 T CB 1.259 70.165 68.868 0.063 0.000 1.136 732 T HN 0.506 nan 8.240 nan 0.000 0.498 733 M N 3.428 122.933 119.600 -0.158 0.000 2.215 733 M HA 0.487 4.966 4.480 -0.000 0.000 0.251 733 M C -2.030 174.093 176.300 -0.296 0.000 0.987 733 M CA -0.674 54.379 55.300 -0.411 0.000 1.025 733 M CB 0.807 33.071 32.600 -0.559 0.000 2.064 733 M HN 0.695 nan 8.290 nan 0.000 0.473 734 W N 4.089 125.219 121.300 -0.285 0.000 2.375 734 W HA 0.730 5.390 4.660 -0.000 0.000 0.336 734 W C -1.877 174.358 176.519 -0.474 0.000 1.160 734 W CA -0.700 56.548 57.345 -0.161 0.000 1.266 734 W CB 0.240 29.655 29.460 -0.074 0.000 1.195 734 W HN 0.597 nan 8.180 nan 0.000 0.599 735 Y N 2.263 122.687 120.300 0.207 0.000 2.447 735 Y HA 0.284 4.833 4.550 -0.001 0.000 0.325 735 Y C 0.436 176.425 175.900 0.149 0.000 0.976 735 Y CA -1.224 56.916 58.100 0.066 0.000 1.280 735 Y CB 1.127 39.592 38.460 0.008 0.000 1.104 735 Y HN 0.431 nan 8.280 nan 0.000 0.486 736 T N 4.505 119.218 114.554 0.265 0.000 2.866 736 T HA -0.030 4.320 4.350 -0.000 0.000 0.293 736 T C 0.216 174.969 174.700 0.089 0.000 1.005 736 T CA 0.659 62.838 62.100 0.132 0.000 1.162 736 T CB -0.100 68.789 68.868 0.036 0.000 0.968 736 T HN 0.688 nan 8.240 nan 0.000 0.530 737 D N 0.789 121.218 120.400 0.047 0.000 3.077 737 D HA -0.127 4.513 4.640 -0.000 0.000 0.217 737 D C 0.266 176.695 176.300 0.214 0.000 1.162 737 D CA 1.157 55.143 54.000 -0.024 0.000 0.943 737 D CB -0.386 40.199 40.800 -0.358 0.000 1.122 737 D HN 0.564 nan 8.370 nan 0.000 0.413 738 E N 0.879 121.215 120.200 0.227 0.000 2.313 738 E HA 0.317 4.666 4.350 -0.000 0.000 0.272 738 E C 0.754 177.530 176.600 0.293 0.000 1.038 738 E CA -0.299 56.253 56.400 0.253 0.000 0.863 738 E CB 1.169 31.003 29.700 0.223 0.000 1.060 738 E HN 0.341 nan 8.360 nan 0.000 0.402 739 D N -0.170 120.417 120.400 0.311 0.000 2.511 739 D HA -0.014 4.625 4.640 -0.000 0.000 0.283 739 D C 1.099 177.627 176.300 0.379 0.000 1.198 739 D CA -0.145 54.063 54.000 0.347 0.000 1.097 739 D CB -0.154 40.874 40.800 0.380 0.000 1.160 739 D HN 0.389 nan 8.370 nan 0.000 0.589 740 H N -1.560 117.683 119.070 0.289 0.000 2.456 740 H HA 0.086 4.642 4.556 -0.000 0.000 0.296 740 H C 1.879 177.448 175.328 0.402 0.000 1.079 740 H CA 2.028 58.264 56.048 0.315 0.000 1.322 740 H CB -0.405 29.524 29.762 0.278 0.000 1.388 740 H HN 0.496 nan 8.280 nan 0.000 0.538 741 G N -0.469 108.497 108.800 0.276 0.000 2.777 741 G HA2 0.043 4.003 3.960 -0.000 0.000 0.211 741 G HA3 0.043 4.003 3.960 -0.000 0.000 0.211 741 G C 0.597 175.695 174.900 0.330 0.000 1.149 741 G CA 0.219 45.414 45.100 0.159 0.000 0.785 741 G HN 0.499 nan 8.290 nan 0.000 0.536 742 I N 0.101 120.870 120.570 0.331 0.000 5.115 742 I HA -0.331 3.839 4.170 -0.000 0.000 0.126 742 I C 1.601 177.838 176.117 0.201 0.000 1.316 742 I CA 0.178 61.610 61.300 0.221 0.000 2.641 742 I CB -1.173 36.912 38.000 0.141 0.000 2.272 742 I HN 0.271 nan 8.210 nan 0.000 0.321 743 A N 1.291 124.206 122.820 0.158 0.000 2.308 743 A HA 0.235 4.554 4.320 -0.000 0.000 0.217 743 A C 1.233 178.856 177.584 0.065 0.000 1.216 743 A CA 0.608 52.702 52.037 0.096 0.000 0.864 743 A CB 0.099 19.127 19.000 0.046 0.000 0.902 743 A HN 0.669 nan 8.150 nan 0.000 0.499 744 S N -0.304 115.446 115.700 0.085 0.000 2.573 744 S HA 0.060 4.529 4.470 -0.000 0.000 0.277 744 S C 0.759 175.401 174.600 0.070 0.000 1.346 744 S CA 0.310 58.551 58.200 0.068 0.000 1.034 744 S CB 0.110 63.357 63.200 0.079 0.000 0.879 744 S HN 0.513 nan 8.310 nan 0.000 0.528 745 N N 1.533 120.262 118.700 0.048 0.000 2.036 745 N HA -0.194 4.546 4.740 -0.000 0.000 0.195 745 N C 2.061 177.625 175.510 0.090 0.000 1.037 745 N CA 1.994 55.078 53.050 0.058 0.000 0.855 745 N CB -0.383 38.121 38.487 0.028 0.000 1.033 745 N HN 0.810 nan 8.380 nan 0.000 0.423 746 M N 0.149 119.791 119.600 0.070 0.000 2.175 746 M HA 0.082 4.561 4.480 -0.000 0.000 0.264 746 M C 2.168 178.517 176.300 0.081 0.000 1.063 746 M CA 1.527 56.871 55.300 0.074 0.000 1.119 746 M CB -0.791 31.844 32.600 0.059 0.000 1.377 746 M HN 0.031 nan 8.290 nan 0.000 0.415 747 A N 0.355 123.203 122.820 0.046 0.000 1.930 747 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 747 A C 2.027 179.552 177.584 -0.098 0.000 1.175 747 A CA 2.052 54.044 52.037 -0.076 0.000 0.627 747 A CB -1.292 17.634 19.000 -0.123 0.000 0.815 747 A HN 0.756 nan 8.150 nan 0.000 0.443 748 H N -0.012 119.035 119.070 -0.039 0.000 2.319 748 H HA -0.140 4.416 4.556 -0.000 0.000 0.299 748 H C 2.099 177.489 175.328 0.103 0.000 1.092 748 H CA 2.357 58.441 56.048 0.060 0.000 1.302 748 H CB -0.203 29.595 29.762 0.061 0.000 1.373 748 H HN 0.576 nan 8.280 nan 0.000 0.497 749 Q N -1.005 118.791 119.800 -0.007 0.000 2.119 749 Q HA -0.182 4.158 4.340 -0.000 0.000 0.201 749 Q C 2.197 178.168 176.000 -0.050 0.000 0.972 749 Q CA 1.276 57.040 55.803 -0.065 0.000 0.847 749 Q CB -0.193 28.549 28.738 0.006 0.000 0.903 749 Q HN 0.649 nan 8.270 nan 0.000 0.433 750 H N 0.833 119.858 119.070 -0.075 0.000 2.326 750 H HA -0.065 4.491 4.556 -0.000 0.000 0.301 750 H C 2.063 177.351 175.328 -0.066 0.000 1.081 750 H CA 1.281 57.312 56.048 -0.029 0.000 1.334 750 H CB -0.007 29.794 29.762 0.064 0.000 1.385 750 H HN 0.264 nan 8.280 nan 0.000 0.504 751 I N 0.160 120.652 120.570 -0.130 0.000 2.179 751 I HA -0.334 3.836 4.170 -0.000 0.000 0.242 751 I C 1.829 177.670 176.117 -0.461 0.000 1.088 751 I CA 1.320 62.449 61.300 -0.286 0.000 1.357 751 I CB -0.271 37.373 38.000 -0.593 0.000 1.051 751 I HN 0.142 nan 8.210 nan 0.000 0.409 752 Y N 0.934 120.986 120.300 -0.414 0.000 2.293 752 Y HA -0.201 4.348 4.550 -0.000 0.000 0.291 752 Y C 2.722 178.378 175.900 -0.405 0.000 1.137 752 Y CA 1.852 59.585 58.100 -0.611 0.000 1.202 752 Y CB -0.885 37.237 38.460 -0.563 0.000 0.990 752 Y HN 0.166 nan 8.280 nan 0.000 0.537 753 T N -1.720 112.715 114.554 -0.200 0.000 2.777 753 T HA -0.220 4.130 4.350 -0.000 0.000 0.266 753 T C 1.561 176.008 174.700 -0.421 0.000 1.040 753 T CA 1.839 63.757 62.100 -0.304 0.000 1.141 753 T CB -0.440 68.251 68.868 -0.295 0.000 0.868 753 T HN 0.414 nan 8.240 nan 0.000 0.444 754 H N 0.865 119.709 119.070 -0.377 0.000 2.353 754 H HA 0.114 4.670 4.556 -0.000 0.000 0.300 754 H C 2.165 177.417 175.328 -0.127 0.000 1.090 754 H CA 1.520 57.429 56.048 -0.232 0.000 1.327 754 H CB -0.216 29.454 29.762 -0.153 0.000 1.383 754 H HN 0.249 nan 8.280 nan 0.000 0.508 755 M N -0.860 118.656 119.600 -0.140 0.000 2.229 755 M HA -0.143 4.337 4.480 -0.000 0.000 0.264 755 M C 2.368 178.774 176.300 0.176 0.000 1.063 755 M CA 1.332 56.566 55.300 -0.111 0.000 1.114 755 M CB 0.056 32.337 32.600 -0.530 0.000 1.387 755 M HN 0.191 nan 8.290 nan 0.000 0.420 756 S N -0.551 115.269 115.700 0.200 0.000 2.368 756 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 756 S C 1.680 176.424 174.600 0.241 0.000 1.030 756 S CA 1.070 59.511 58.200 0.402 0.000 0.999 756 S CB -0.500 62.933 63.200 0.388 0.000 0.844 756 S HN 0.465 nan 8.310 nan 0.000 0.459 757 H N 0.051 119.178 119.070 0.096 0.000 2.357 757 H HA 0.023 4.579 4.556 -0.000 0.000 0.301 757 H C 1.891 177.213 175.328 -0.011 0.000 1.082 757 H CA 1.017 57.072 56.048 0.010 0.000 1.342 757 H CB -0.884 28.830 29.762 -0.079 0.000 1.389 757 H HN 0.451 nan 8.280 nan 0.000 0.511 758 F N 1.014 120.949 119.950 -0.025 0.000 2.095 758 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 758 F C 2.431 178.188 175.800 -0.072 0.000 1.104 758 F CA 1.026 58.983 58.000 -0.072 0.000 1.232 758 F CB -0.501 38.439 39.000 -0.100 0.000 0.987 758 F HN 0.031 nan 8.300 nan 0.000 0.475 759 L N 0.178 121.431 121.223 0.051 0.000 2.046 759 L HA -0.234 4.105 4.340 -0.000 0.000 0.208 759 L C 2.394 179.079 176.870 -0.308 0.000 1.077 759 L CA 1.731 56.443 54.840 -0.214 0.000 0.747 759 L CB -0.542 41.485 42.059 -0.053 0.000 0.896 759 L HN 0.190 nan 8.230 nan 0.000 0.432 760 K N -0.902 119.465 120.400 -0.056 0.000 2.097 760 K HA -0.181 4.138 4.320 -0.000 0.000 0.205 760 K C 2.086 178.673 176.600 -0.023 0.000 1.050 760 K CA 0.970 57.274 56.287 0.029 0.000 0.938 760 K CB -0.013 32.555 32.500 0.114 0.000 0.718 760 K HN 0.356 nan 8.250 nan 0.000 0.442 761 Q N 0.361 120.097 119.800 -0.107 0.000 2.046 761 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 761 Q C 2.453 178.352 176.000 -0.168 0.000 0.975 761 Q CA 1.232 56.955 55.803 -0.133 0.000 0.836 761 Q CB -0.715 27.915 28.738 -0.181 0.000 0.896 761 Q HN 0.408 nan 8.270 nan 0.000 0.428 762 c N 0.219 118.617 118.600 -0.336 0.000 2.413 762 c HA -0.122 4.447 4.570 -0.000 0.000 0.277 762 c C 2.030 176.125 174.090 0.008 0.000 1.265 762 c CA 0.462 56.611 56.329 -0.299 0.000 1.752 762 c CB -0.992 41.187 42.510 -0.551 0.000 1.998 762 c HN 0.344 nan 8.230 nan 0.000 0.489 763 F N 1.472 121.387 119.950 -0.058 0.000 2.693 763 F HA 0.278 4.805 4.527 -0.000 0.000 0.303 763 F C 1.568 177.354 175.800 -0.024 0.000 1.097 763 F CA 0.220 58.206 58.000 -0.023 0.000 1.330 763 F CB -1.194 37.803 39.000 -0.006 0.000 1.067 763 F HN 0.164 nan 8.300 nan 0.000 0.565 764 S N 1.198 116.978 115.700 0.132 0.000 3.631 764 S HA -0.193 4.277 4.470 -0.000 0.000 0.366 764 S C -0.094 174.548 174.600 0.070 0.000 0.993 764 S CA 0.147 58.387 58.200 0.067 0.000 1.167 764 S CB -1.923 61.306 63.200 0.048 0.000 0.909 764 S HN 0.231 nan 8.310 nan 0.000 0.478 765 L N 1.846 123.121 121.223 0.087 0.000 2.317 765 L HA 0.573 4.913 4.340 -0.000 0.000 0.281 765 L C -1.202 175.705 176.870 0.060 0.000 1.024 765 L CA -1.927 52.962 54.840 0.081 0.000 0.810 765 L CB 1.004 43.135 42.059 0.119 0.000 1.240 765 L HN 0.097 nan 8.230 nan 0.000 0.427 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.125 63.100 0.041 0.000 0.800 766 P CB 0.000 31.718 31.700 0.030 0.000 0.726